#------------------------------------------------------------------------------
#$Date: 2024-03-07 04:17:43 +0200 (Thu, 07 Mar 2024) $
#$Revision: 290371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/82/7248287.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7248287
loop_
_publ_author_name
'Giri, Indrajit'
'Biswas, Sagar'
'Chhetri, Shant'
'Choudhuri, Anwesha'
'Mondal, Indrajit'
'Senanayak, Satyaprasad P.'
'Iyer, Parameswar Krishnan'
'Chaudhuri, Debangshu'
'Vijayaraghavan, Ratheesh K.'
_publ_section_title
;
 Ambient stable solution-processed organic field effect transistors from
 electron deficient planar aromatics: effect of end-groups on ambient
 stability
;
_journal_issue                   11
_journal_name_full               'RSC Advances'
_journal_page_first              7915
_journal_page_last               7923
_journal_paper_doi               10.1039/D4RA01499E
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C32.01 H34 N4 O4'
_chemical_formula_sum            'C32.01 H34 N4 O4'
_chemical_formula_weight         538.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2022-07-30
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2023-02-13 deposited with the CCDC.	2024-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                99.995(6)
_cell_angle_beta                 93.825(7)
_cell_angle_gamma                95.201(8)
_cell_formula_units_Z            1
_cell_length_a                   5.3597(6)
_cell_length_b                   8.2900(8)
_cell_length_c                   15.7629(8)
_cell_measurement_reflns_used    3749
_cell_measurement_temperature    100.01(13)
_cell_measurement_theta_max      68.0810
_cell_measurement_theta_min      2.8580
_cell_volume                     684.48(11)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(13)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     26.00 107.00   0.50    0.91    --   40.96  38.00 -30.00  162
  2  ω     99.00 164.00   0.50    3.64    --   96.67 117.00  30.00  130
  3  ω    128.00 157.00   0.50    3.64    --   96.67 145.00 120.00   58
  4  ω     99.00 164.00   0.50    3.64    --   96.67 117.00 150.00  130
  5  ω    100.00 164.00   0.50    3.64    --   96.67 117.00 120.00  128
  6  ω     80.00 163.00   0.50    3.64    --   96.67  42.00   0.00  166
  7  ω    120.00 163.00   0.50    3.64    --   96.67 145.00-120.00   86
  8  ω    105.00 168.00   0.50    3.64    --   96.67 103.00-168.00  126
  9  ω     93.00 119.00   0.50    3.64    --   96.67 145.00-120.00   52
 10  ω     70.00 165.00   0.50    3.64    --   96.67  77.00-120.00  190
 11  ω     80.00 163.00   0.50    3.64    --   96.67  42.00 -60.00  166
 12  ω     83.00 154.00   0.50    3.64    --   96.67  33.00-180.00  142
 13  ω     75.00 164.00   0.50    3.64    --   96.67  59.00  30.00  178
 14  ω     82.00 167.00   0.50    3.64    --   96.67  25.00 120.00  170
 15  ω     44.00 127.00   0.50    3.64    --   96.67-145.00   0.00  166
 16  ω     42.00  68.00   0.50    3.64    --   96.67 -59.00-150.00   52
 17  ω     27.00 127.00   0.50    3.64    --   96.67 -87.00-180.00  200
 18  ω     41.00 100.00   0.50    0.91    --   40.96-138.00-180.00  118
 19  ω     30.00 109.00   0.50    3.64    --   96.67-117.00-150.00  158
 20  ω     30.00 109.00   0.50    3.64    --   96.67-117.00-180.00  158
 21  ω     29.00  68.00   0.50    3.64    --   96.67 -59.00-180.00   78
 22  ω     30.00 109.00   0.50    3.64    --   96.67-117.00   0.00  158
 23  ω     30.00 109.00   0.50    3.64    --   96.67-117.00  90.00  158
 24  ω     30.00  57.00   0.50    3.64    --   96.67 -50.00  60.00   54
 25  ω     29.00  83.00   0.50    3.64    --   96.67 -68.00  90.00  108
 26  ω     29.00  68.00   0.50    3.64    --   96.67 -59.00  60.00   78
 27  ω     30.00  57.00   0.50    3.64    --   96.67 -50.00 120.00   54
 28  ω     25.00 107.00   0.50    3.64    --   96.67-103.00  90.00  164
 29  ω     14.00  79.00   0.50    0.91    --   40.96-103.00  90.00  130
 30  ω    -24.00  35.00   0.50    0.91    --  -40.96  12.00 120.00  118
 31  ω    -25.00  43.00   0.50    0.91    --   40.96 -38.00 -30.00  136
 32  ω    -26.00  64.00   0.50    0.91    --   40.96 -64.00 -90.00  180
 33  ω    -34.00  24.00   0.50    0.91    --   40.96 -12.00 -90.00  116
 34  ω    -57.00  26.00   0.50    0.91    --  -40.96  50.00-180.00  166
 35  ω    -47.00 -15.00   0.50    3.64    --  -82.50  42.00-150.00   64
 36  ω    -47.00 -15.00   0.50    3.64    --  -82.50  42.00-180.00   64
 37  ω    -47.00 -15.00   0.50    3.64    --  -82.50  42.00-120.00   64
 38  ω    -68.00  28.00   0.50    0.91    --  -40.96  77.00 -60.00  192
 39  ω    -47.00 -15.00   0.50    3.64    --  -82.50  42.00   0.00   64
 40  ω    -47.00 -15.00   0.50    3.64    --  -82.50  42.00 150.00   64
 41  ω   -108.00 -18.00   0.50    0.91    --  -40.96 -64.00  30.00  180
 42  ω    -82.00 -11.00   0.50    3.64    --  -82.50 103.00-168.00  142
 43  ω    -79.00   8.00   0.50    0.91    --  -40.96 103.00-168.00  174
 44  ω   -154.00 -83.00   0.50    3.64    --  -82.50-103.00  90.00  142
 45  ω   -156.00 -58.00   0.50    3.64    --  -82.50 -17.00  30.00  196
 46  ω   -157.00 -83.00   0.50    3.64    --  -82.50 -96.00-150.00  148
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0234871000
_diffrn_orient_matrix_UB_12      -0.0979391000
_diffrn_orient_matrix_UB_13      0.0742432000
_diffrn_orient_matrix_UB_21      0.1102874000
_diffrn_orient_matrix_UB_22      -0.1373516000
_diffrn_orient_matrix_UB_23      -0.0604068000
_diffrn_orient_matrix_UB_31      0.2667982000
_diffrn_orient_matrix_UB_32      0.0868268000
_diffrn_orient_matrix_UB_33      0.0275241000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6583
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.503
_diffrn_reflns_theta_min         2.857
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_description       block
_exptl_crystal_F_000             286
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.456
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         2443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.456
_refine_ls_R_factor_all          0.1054
_refine_ls_R_factor_gt           0.0986
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3060
_refine_ls_wR_factor_ref         0.3220
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2030
_reflns_number_total             2443
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ra01499e2.cif
_cod_data_source_block           trial1
_cod_database_code               7248287
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H N O'
_chemical_oxdiff_usercomment     100K
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_diffrn_oxdiff_digest_frames
;
0104a20f3bac7ead4f04cb9157d3d29a6f059285034
;
_diffrn_oxdiff_digest_hkl
;
01c8ab07175da979d94a0037217bfd2dd7eba0
;
_reflns_odcompleteness_completeness 98.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H00J,H00K} of C00G, {H00L,H00M} of C00H
 At 1.5 times of:
  All C(H,H,H) groups, {H4A,H4B} of C4, {H00A,H00C} of C00D, All C(H,H,H,H,H,
  H) groups
2. Others
 Fixed Sof: H00G(0.5) H00H(0.5) H00I(0.5) H00D(0.5) H00E(0.5) H00F(0.5)
 C2(0.5) H2(0.5) C29(0.5) H29(0.5)
3.a Ternary CH refined with riding coordinates:
 C2(H2), C29(H29)
3.b Secondary CH2 refined with riding coordinates:
 C00G(H00J,H00K), C00H(H00L,H00M)
3.c Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00K(H00Q)
3.d Idealised Me refined as rotating group:
 C00E(H00G,H00H,H00I), C00E(H00D,H00E,H00F), C00J(H00N,H00O,H00P)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.364
_oxdiff_exptl_absorpt_empirical_full_min 0.446
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O001 O -0.0074(3) 0.1353(2) 0.31769(12) 0.0554(6) Uani 1 1 d . . . . .
O002 O 0.7119(4) 0.4548(2) 0.42821(12) 0.0547(6) Uani 1 1 d . . . . .
N003 N 0.3607(4) 0.2909(2) 0.36780(12) 0.0474(6) Uani 1 1 d . . . . .
N004 N 1.3236(5) 0.2001(3) 0.68197(16) 0.0622(7) Uani 1 1 d . . . . .
C005 C 0.1861(5) 0.1527(3) 0.36315(16) 0.0480(7) Uani 1 1 d . . . . .
C006 C 1.1313(5) 0.1593(3) 0.64534(16) 0.0497(7) Uani 1 1 d . . . . .
C007 C 0.7472(5) -0.0268(3) 0.58379(15) 0.0465(7) Uani 1 1 d . . . . .
C008 C 0.5743(5) 0.3285(3) 0.42465(15) 0.0475(7) Uani 1 1 d . . . . .
C009 C 0.9005(5) 0.1199(3) 0.59004(15) 0.0481(7) Uani 1 1 d . . . . .
C00A C 0.6286(5) 0.2057(3) 0.48100(15) 0.0464(7) Uani 1 1 d . . . . .
C00B C 0.8392(5) 0.2380(3) 0.53810(15) 0.0470(7) Uani 1 1 d . . . . .
H00B H 0.943853 0.338593 0.543058 0.056 Uiso 1 1 calc R . . . .
C00C C 0.4689(5) 0.0586(3) 0.47402(15) 0.0463(7) Uani 1 1 d . . . . .
C00D C 0.3075(6) 0.4036(3) 0.30643(16) 0.0509(7) Uani 1 1 d . . . . .
H00A H 0.134(7) 0.424(5) 0.306(3) 0.076 Uiso 1 1 d R . . A 2
H00C H 0.399(7) 0.510(5) 0.327(3) 0.076 Uiso 1 1 d R . . B 2
C00E C 0.5605(7) 0.1418(4) 0.10561(19) 0.0748(9) Uani 1 1 d . . . . .
H00G H 0.710029 0.082004 0.101182 0.112 Uiso 0.5 1 calc GR . P C 1
H00H H 0.571984 0.227183 0.069744 0.112 Uiso 0.5 1 calc GR . P C 1
H00I H 0.409957 0.064823 0.085542 0.112 Uiso 0.5 1 calc GR . P C 1
H00D H 0.465641 0.118220 0.048743 0.112 Uiso 0.5 1 calc GR . P D -1
H00E H 0.639740 0.044046 0.115712 0.112 Uiso 0.5 1 calc GR . P D -1
H00F H 0.690459 0.233733 0.107514 0.112 Uiso 0.5 1 calc GR . P D -1
C00G C 0.1509(7) 0.5640(5) 0.1559(2) 0.0815(10) Uani 1 1 d . . . . .
H00J H 0.117048 0.618482 0.214391 0.098 Uiso 1 1 calc R . . . .
H00K H 0.005787 0.481980 0.132773 0.098 Uiso 1 1 calc R . . . .
C00H C 0.1754(8) 0.6928(6) 0.0976(3) 0.0926(12) Uani 1 1 d . . . . .
H00L H 0.327775 0.769588 0.118919 0.111 Uiso 1 1 calc R . . . .
H00M H 0.201350 0.636169 0.038624 0.111 Uiso 1 1 calc R . . . .
C00J C -0.0396(9) 0.7897(8) 0.0917(3) 0.1134(16) Uani 1 1 d . . . . .
H00N H 0.004083 0.879791 0.060798 0.170 Uiso 1 1 calc GR . . . .
H00O H -0.081415 0.835220 0.150040 0.170 Uiso 1 1 calc GR . . . .
H00P H -0.184696 0.718587 0.060429 0.170 Uiso 1 1 calc GR . . . .
C00K C 0.5438(16) 0.2231(7) 0.2012(3) 0.056(3) Uani 0.57(2) 1 d . . . E 1
H00Q H 0.607327 0.168649 0.245087 0.067 Uiso 1 1 calc R . . E 1
C2 C 0.4489(17) 0.3599(8) 0.2249(4) 0.0596(15) Uani 0.5 1 d . . P E 1
H2 H 0.611663 0.424791 0.249823 0.071 Uiso 0.5 1 calc R . P E 1
C29 C 0.3179(11) 0.3248(7) 0.2093(3) 0.0414(12) Uani 0.5 1 d . . P E -1
H29 H 0.132949 0.304048 0.192571 0.050 Uiso 0.5 1 calc R . P E -1
C1 C 0.377(2) 0.1888(8) 0.1775(5) 0.056(3) Uani 0.43(2) 1 d . . . E -1
C4 C 0.3781(8) 0.4788(4) 0.1623(2) 0.0750(10) Uani 1 1 d . . . . .
H4A H 0.433(9) 0.441(6) 0.107(4) 0.113 Uiso 1 1 d R . . F 2
H4B H 0.532(10) 0.554(7) 0.195(4) 0.113 Uiso 1 1 d R . . G 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C005 N003 C00D 116.4(2) . . ?
C008 N003 C005 124.8(2) . . ?
C008 N003 C00D 118.9(2) . . ?
O001 C005 N003 121.2(2) . . ?
O001 C005 C007 121.7(2) . 2_656 ?
N003 C005 C007 117.1(2) . 2_656 ?
N004 C006 C009 172.1(2) . . ?
C009 C007 C005 120.7(3) . 2_656 ?
C009 C007 C00C 119.6(2) . 2_656 ?
C00C C007 C005 119.8(2) 2_656 2_656 ?
O002 C008 N003 121.5(2) . . ?
O002 C008 C00A 121.7(2) . . ?
N003 C008 C00A 116.8(2) . . ?
C007 C009 C006 123.0(2) . . ?
C007 C009 C00B 120.5(3) . . ?
C00B C009 C006 116.4(2) . . ?
C00B C00A C008 118.7(2) . . ?
C00B C00A C00C 120.9(2) . . ?
C00C C00A C008 120.5(3) . . ?
C00A C00B C009 119.7(2) . . ?
C007 C00C C00A 120.7(3) 2_656 . ?
C007 C00C C00C 120.2(3) 2_656 2_656 ?
C00A C00C C00C 119.1(3) . 2_656 ?
N003 C00D C2 110.0(3) . . ?
N003 C00D C29 114.0(3) . . ?
C2 C00D C29 27.7(3) . . ?
C00K C00E C1 35.2(3) . . ?
C4 C00G C00H 112.4(3) . . ?
C00J C00H C00G 115.5(3) . . ?
C2 C00K C00E 124.2(5) . . ?
C2 C00K C29 28.9(3) . . ?
C29 C00K C00E 110.5(5) . . ?
C1 C00K C00E 73.5(5) . . ?
C1 C00K C2 81.9(7) . . ?
C1 C00K C29 53.2(5) . . ?
C00D C2 C4 107.3(4) . . ?
C00K C2 C00D 125.6(5) . . ?
C00K C2 C1 38.9(3) . . ?
C00K C2 C4 124.1(5) . . ?
C29 C2 C00D 77.8(7) . . ?
C29 C2 C00K 94.2(9) . . ?
C29 C2 C1 55.5(8) . . ?
C29 C2 C4 79.3(8) . . ?
C1 C2 C00D 113.3(5) . . ?
C1 C2 C4 107.2(6) . . ?
C00D C29 C4 104.4(4) . . ?
C00K C29 C00D 108.8(4) . . ?
C00K C29 C4 107.1(4) . . ?
C2 C29 C00D 74.4(7) . . ?
C2 C29 C00K 56.9(7) . . ?
C2 C29 C1 94.6(10) . . ?
C2 C29 C4 73.6(7) . . ?
C1 C29 C00D 129.5(5) . . ?
C1 C29 C00K 37.9(4) . . ?
C1 C29 C4 119.8(4) . . ?
C00K C1 C00E 71.3(6) . . ?
C00K C1 C2 59.2(6) . . ?
C00K C1 C29 89.0(7) . . ?
C2 C1 C00E 110.6(6) . . ?
C29 C1 C00E 129.6(5) . . ?
C29 C1 C2 29.9(3) . . ?
C00G C4 C2 129.1(4) . . ?
C00G C4 C29 108.8(3) . . ?
C2 C4 C29 27.2(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O001 C005 1.203(3) . ?
O002 C008 1.215(3) . ?
N003 C005 1.401(3) . ?
N003 C008 1.383(3) . ?
N003 C00D 1.489(3) . ?
N004 C006 1.140(3) . ?
C005 C007 1.499(3) 2_656 ?
C006 C009 1.442(4) . ?
C007 C009 1.390(4) . ?
C007 C00C 1.401(4) 2_656 ?
C008 C00A 1.497(4) . ?
C009 C00B 1.427(4) . ?
C00A C00B 1.372(4) . ?
C00A C00C 1.408(4) . ?
C00C C00C 1.423(5) 2_656 ?
C00D C2 1.541(7) . ?
C00D C29 1.564(6) . ?
C00E C00K 1.552(6) . ?
C00E C1 1.571(7) . ?
C00G C00H 1.528(4) . ?
C00G C4 1.469(5) . ?
C00H C00J 1.470(7) . ?
C00K C2 1.291(8) . ?
C00K C29 1.537(8) . ?
C00K C1 0.944(8) . ?
C2 C29 0.744(7) . ?
C2 C1 1.488(11) . ?
C2 C4 1.564(7) . ?
C29 C1 1.230(8) . ?
C29 C4 1.602(6) . ?
