#------------------------------------------------------------------------------
#$Date: 2024-10-13 03:56:05 +0300 (Sun, 13 Oct 2024) $
#$Revision: 295472 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/94/7249459.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_7249459
loop_
_publ_author_name
'Chen, Meiling'
'Chen, Yuzhuo'
'Zhang, Ting'
'Zhang, Hua'
'Xiao, Zhiwen'
'Su, Zhongzhen'
'Wu, Yunan'
_publ_section_title
;
 Molecular design and functional outcomes of RTP and TADF traits in
 isomers
;
_journal_issue                   44
_journal_name_full               'RSC Advances'
_journal_page_first              32221
_journal_page_last               32228
_journal_paper_doi               10.1039/D4RA05807K
_journal_volume                  14
_journal_year                    2024
_chemical_formula_moiety         'C33 H19 F3 N2 O2'
_chemical_formula_sum            'C33 H19 F3 N2 O2'
_chemical_formula_weight         532.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-01-04
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2024-05-04 deposited with the CCDC.	2024-10-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.318(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1951(3)
_cell_length_b                   10.5832(2)
_cell_length_c                   17.5467(3)
_cell_measurement_reflns_used    3883
_cell_measurement_temperature    292.9(3)
_cell_measurement_theta_max      74.7420
_cell_measurement_theta_min      4.2830
_cell_volume                     2608.30(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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      air
_diffrn_ambient_temperature      292.9(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00 -17.00   1.00    4.04    --  -41.14 -38.00  30.00   88
  2  ω   -115.00 -25.00   1.00    4.04    --  -41.14 -38.00 120.00   90
  3  ω     38.00 135.00   1.00   16.18    --  109.40 -45.00-120.00   97
  4  ω     81.00 169.00   1.00   16.18    --  109.40  30.00  60.00   88
  5  ω     36.00  97.00   1.00   16.18    --  109.40-125.00 150.00   61
  6  ω     38.00 135.00   1.00   16.18    --  109.40 -77.00 120.00   97
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0497728000
_diffrn_orient_matrix_UB_12      0.0098842000
_diffrn_orient_matrix_UB_13      0.0721746000
_diffrn_orient_matrix_UB_21      -0.0949281000
_diffrn_orient_matrix_UB_22      -0.0395401000
_diffrn_orient_matrix_UB_23      -0.0480733000
_diffrn_orient_matrix_UB_31      0.0235338000
_diffrn_orient_matrix_UB_32      -0.1396944000
_diffrn_orient_matrix_UB_33      0.0187329000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8076
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.922
_diffrn_reflns_theta_min         3.751
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.14097
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0643
_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)+(0.1105P)²+0.5211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1798
_refine_ls_wR_factor_ref         0.1967
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4049
_reflns_number_total             5132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ra05807k2.cif
_cod_data_source_block           19010403
_cod_database_code               7249459
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C H O N F'
_chemical_oxdiff_usercomment     3Fmo
_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.
;
_reflns_odcompleteness_completeness 98.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.46
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C009(H009), C00C(H00C), C00F(H00F), C00H(H00H), C00J(H00J), C00M(H00M),
 C00N(H00N), C00O(H00O), C00P(H00P), C00T(H00T), C00V(H00V), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C010(H010), C011(H011), C012(H012), C013(H013),
 C014(H014)
;
_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 5.707
_oxdiff_exptl_absorpt_empirical_full_min 0.409
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.46939(13) 0.45292(16) 0.31482(9) 0.0595(4) Uani 1 1 d . . . . .
O002 O 0.48757(13) 0.22837(16) 0.54066(9) 0.0617(4) Uani 1 1 d . . . . .
N003 N 0.49623(13) 0.31534(15) 0.41983(9) 0.0455(4) Uani 1 1 d . . . . .
N004 N 0.11932(14) 0.60719(19) 0.31483(10) 0.0562(5) Uani 1 1 d . . . . .
C005 C 0.45158(15) 0.41786(18) 0.37641(11) 0.0454(4) Uani 1 1 d . . . . .
C006 C 0.55884(14) 0.22759(18) 0.39167(11) 0.0445(4) Uani 1 1 d . . . . .
C007 C 0.38107(14) 0.46950(19) 0.42222(10) 0.0449(4) Uani 1 1 d . . . . .
C008 C 0.38662(15) 0.40230(19) 0.49019(11) 0.0461(4) Uani 1 1 d . . . . .
C009 C 0.31607(15) 0.56544(19) 0.40396(11) 0.0473(4) Uani 1 1 d . . . . .
H009 H 0.3137 0.6101 0.3581 0.057 Uiso 1 1 calc R . . . .
C00A C 0.46033(16) 0.30413(19) 0.49047(11) 0.0475(5) Uani 1 1 d . . . . .
C00B C 0.25388(16) 0.5935(2) 0.45636(11) 0.0484(5) Uani 1 1 d . . . . .
C00C C 0.61860(16) 0.2659(2) 0.34038(12) 0.0519(5) Uani 1 1 d . . . . .
H00C H 0.6200 0.3502 0.3256 0.062 Uiso 1 1 calc R . . . .
C00D C 0.18349(16) 0.6973(2) 0.44059(12) 0.0505(5) Uani 1 1 d . . . . .
C00E C 0.15467(16) 0.6152(2) 0.24533(12) 0.0526(5) Uani 1 1 d . . . . .
C00F C 0.32660(18) 0.4287(2) 0.54344(12) 0.0550(5) Uani 1 1 d . . . . .
H00F H 0.3304 0.3842 0.5895 0.066 Uiso 1 1 calc R . . . .
C00G C 0.12160(17) 0.7057(2) 0.37077(12) 0.0540(5) Uani 1 1 d . . . . .
C00H C 0.26014(17) 0.5248(2) 0.52529(12) 0.0555(5) Uani 1 1 d . . . . .
H00H H 0.2185 0.5441 0.5600 0.067 Uiso 1 1 calc R . . . .
F00I F 0.7231(3) -0.0451(3) 0.22684(14) 0.1606(14) Uani 1 1 d . . . . .
C00J C 0.55768(17) 0.1015(2) 0.41392(14) 0.0552(5) Uani 1 1 d . . . . .
H00J H 0.5175 0.0753 0.4483 0.066 Uiso 1 1 calc R . . . .
C00K C 0.13530(17) 0.5006(2) 0.20518(13) 0.0582(6) Uani 1 1 d . . . . .
C00L C 0.67522(18) 0.0534(2) 0.33322(13) 0.0572(5) Uani 1 1 d . . . . .
C00M C 0.20364(18) 0.7134(2) 0.21698(13) 0.0592(6) Uani 1 1 d . . . . .
H00M H 0.2152 0.7886 0.2442 0.071 Uiso 1 1 calc R . . . .
C00N C 0.67623(19) 0.1784(2) 0.31112(14) 0.0596(6) Uani 1 1 d . . . . .
H00N H 0.7159 0.2040 0.2763 0.072 Uiso 1 1 calc R . . . .
C00O C 0.61643(19) 0.0151(2) 0.38484(15) 0.0602(6) Uani 1 1 d . . . . .
H00O H 0.6163 -0.0690 0.4002 0.072 Uiso 1 1 calc R . . . .
C00P C 0.17907(18) 0.7925(2) 0.49483(14) 0.0593(6) Uani 1 1 d . . . . .
H00P H 0.2183 0.7877 0.5420 0.071 Uiso 1 1 calc R . . . .
F00Q F 0.7296(3) -0.1538(2) 0.3242(2) 0.1764(18) Uani 1 1 d . . . . .
C00R C 0.08547(18) 0.4210(3) 0.25192(15) 0.0628(6) Uani 1 1 d . . . . .
C00S C 0.07729(17) 0.4892(3) 0.31922(14) 0.0621(6) Uani 1 1 d . . . . .
C00T C 0.0607(2) 0.8079(3) 0.35649(15) 0.0709(7) Uani 1 1 d . . . . .
H00T H 0.0201 0.8131 0.3100 0.085 Uiso 1 1 calc R . . . .
F00U F 0.82667(19) -0.0126(4) 0.3174(3) 0.1800(17) Uani 1 1 d . . . . .
C00V C 0.1181(2) 0.8934(3) 0.48027(16) 0.0685(7) Uani 1 1 d . . . . .
H00V H 0.1163 0.9556 0.5175 0.082 Uiso 1 1 calc R . . . .
C00W C 0.2349(2) 0.6957(3) 0.14656(15) 0.0682(7) Uani 1 1 d . . . . .
H00W H 0.2694 0.7592 0.1265 0.082 Uiso 1 1 calc R . . . .
C00X C 0.2153(2) 0.5835(3) 0.10532(15) 0.0741(7) Uani 1 1 d . . . . .
H00X H 0.2354 0.5747 0.0575 0.089 Uiso 1 1 calc R . . . .
C00Y C 0.1673(2) 0.4869(3) 0.13351(15) 0.0717(7) Uani 1 1 d . . . . .
H00Y H 0.1558 0.4124 0.1056 0.086 Uiso 1 1 calc R . . . .
C00Z C 0.7381(2) -0.0390(3) 0.30116(18) 0.0746(7) Uani 1 1 d . . . . .
C010 C 0.0340(2) 0.4386(3) 0.37804(19) 0.0827(8) Uani 1 1 d . . . . .
H010 H 0.0299 0.4834 0.4230 0.099 Uiso 1 1 calc R . . . .
C011 C 0.0596(2) 0.9024(3) 0.41067(17) 0.0755(8) Uani 1 1 d . . . . .
H011 H 0.0196 0.9717 0.4002 0.091 Uiso 1 1 calc R . . . .
C012 C 0.0467(2) 0.2996(3) 0.2429(2) 0.0821(8) Uani 1 1 d . . . . .
H012 H 0.0505 0.2538 0.1982 0.098 Uiso 1 1 calc R . . . .
C013 C 0.0037(3) 0.2494(4) 0.2998(3) 0.0997(11) Uani 1 1 d . . . . .
H013 H -0.0216 0.1683 0.2941 0.120 Uiso 1 1 calc R . . . .
C014 C -0.0033(3) 0.3171(4) 0.3665(3) 0.1024(12) Uani 1 1 d . . . . .
H014 H -0.0336 0.2804 0.4045 0.123 Uiso 1 1 calc R . . . .
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'
F F 0.0727 0.0534 '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 C006 124.39(16) . . ?
C00A N003 C005 110.19(16) . . ?
C00A N003 C006 124.97(16) . . ?
C00E N004 C00G 125.8(2) . . ?
C00E N004 C00S 108.4(2) . . ?
C00S N004 C00G 125.7(2) . . ?
O001 C005 N003 125.55(19) . . ?
O001 C005 C007 128.45(19) . . ?
N003 C005 C007 106.01(15) . . ?
C00C C006 N003 120.48(18) . . ?
C00C C006 C00J 119.8(2) . . ?
C00J C006 N003 119.70(19) . . ?
C008 C007 C005 108.72(18) . . ?
C009 C007 C005 129.06(17) . . ?
C009 C007 C008 122.20(19) . . ?
C007 C008 C00A 108.52(18) . . ?
C007 C008 C00F 121.1(2) . . ?
C00F C008 C00A 130.37(18) . . ?
C007 C009 H009 121.0 . . ?
C007 C009 C00B 118.02(18) . . ?
C00B C009 H009 121.0 . . ?
O002 C00A N003 125.2(2) . . ?
O002 C00A C008 128.33(19) . . ?
N003 C00A C008 106.51(16) . . ?
C009 C00B C00D 120.53(18) . . ?
C009 C00B C00H 119.4(2) . . ?
C00H C00B C00D 120.08(19) . . ?
C006 C00C H00C 120.1 . . ?
C00N C00C C006 119.8(2) . . ?
C00N C00C H00C 120.1 . . ?
C00G C00D C00B 121.96(19) . . ?
C00P C00D C00B 120.2(2) . . ?
C00P C00D C00G 117.8(2) . . ?
N004 C00E C00K 108.5(2) . . ?
C00M C00E N004 128.8(2) . . ?
C00M C00E C00K 122.6(2) . . ?
C008 C00F H00F 121.4 . . ?
C008 C00F C00H 117.20(19) . . ?
C00H C00F H00F 121.4 . . ?
C00D C00G N004 120.2(2) . . ?
C00T C00G N004 119.6(2) . . ?
C00T C00G C00D 120.2(2) . . ?
C00B C00H H00H 118.9 . . ?
C00F C00H C00B 122.1(2) . . ?
C00F C00H H00H 118.9 . . ?
C006 C00J H00J 120.1 . . ?
C00O C00J C006 119.9(2) . . ?
C00O C00J H00J 120.1 . . ?
C00E C00K C00R 107.3(2) . . ?
C00Y C00K C00E 118.1(2) . . ?
C00Y C00K C00R 134.7(3) . . ?
C00N C00L C00Z 119.5(2) . . ?
C00O C00L C00N 119.9(2) . . ?
C00O C00L C00Z 120.5(2) . . ?
C00E C00M H00M 121.2 . . ?
C00E C00M C00W 117.5(2) . . ?
C00W C00M H00M 121.2 . . ?
C00C C00N H00N 119.8 . . ?
C00L C00N C00C 120.5(2) . . ?
C00L C00N H00N 119.8 . . ?
C00J C00O H00O 119.9 . . ?
C00L C00O C00J 120.1(2) . . ?
C00L C00O H00O 119.9 . . ?
C00D C00P H00P 119.2 . . ?
C00V C00P C00D 121.6(2) . . ?
C00V C00P H00P 119.2 . . ?
C00S C00R C00K 106.7(2) . . ?
C012 C00R C00K 134.0(3) . . ?
C012 C00R C00S 119.3(3) . . ?
N004 C00S C00R 109.1(2) . . ?
C010 C00S N004 129.0(3) . . ?
C010 C00S C00R 121.9(3) . . ?
C00G C00T H00T 119.7 . . ?
C011 C00T C00G 120.6(2) . . ?
C011 C00T H00T 119.7 . . ?
C00P C00V H00V 120.0 . . ?
C00P C00V C011 120.1(2) . . ?
C011 C00V H00V 120.0 . . ?
C00M C00W H00W 119.6 . . ?
C00M C00W C00X 120.8(3) . . ?
C00X C00W H00W 119.6 . . ?
C00W C00X H00X 119.2 . . ?
C00Y C00X C00W 121.5(2) . . ?
C00Y C00X H00X 119.2 . . ?
C00K C00Y H00Y 120.3 . . ?
C00X C00Y C00K 119.5(3) . . ?
C00X C00Y H00Y 120.3 . . ?
F00I C00Z C00L 113.2(3) . . ?
F00I C00Z F00Q 105.0(3) . . ?
F00Q C00Z C00L 114.3(3) . . ?
F00U C00Z F00I 104.4(3) . . ?
F00U C00Z C00L 113.4(3) . . ?
F00U C00Z F00Q 105.6(4) . . ?
C00S C010 H010 121.7 . . ?
C00S C010 C014 116.7(3) . . ?
C014 C010 H010 121.7 . . ?
C00T C011 H011 120.1 . . ?
C00V C011 C00T 119.7(2) . . ?
C00V C011 H011 120.1 . . ?
C00R C012 H012 120.3 . . ?
C013 C012 C00R 119.3(3) . . ?
C013 C012 H012 120.3 . . ?
C012 C013 H013 119.5 . . ?
C012 C013 C014 121.0(3) . . ?
C014 C013 H013 119.5 . . ?
C010 C014 H014 119.1 . . ?
C013 C014 C010 121.8(3) . . ?
C013 C014 H014 119.1 . . ?
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 1.204(2) . ?
O002 C00A 1.212(3) . ?
N003 C005 1.421(2) . ?
N003 C006 1.422(3) . ?
N003 C00A 1.412(3) . ?
N004 C00E 1.387(3) . ?
N004 C00G 1.429(3) . ?
N004 C00S 1.391(3) . ?
C005 C007 1.476(3) . ?
C006 C00C 1.384(3) . ?
C006 C00J 1.391(3) . ?
C007 C008 1.381(3) . ?
C007 C009 1.378(3) . ?
C008 C00A 1.474(3) . ?
C008 C00F 1.381(3) . ?
C009 H009 0.9300 . ?
C009 C00B 1.396(3) . ?
C00B C00D 1.484(3) . ?
C00B C00H 1.403(3) . ?
C00C H00C 0.9300 . ?
C00C C00N 1.383(3) . ?
C00D C00G 1.403(3) . ?
C00D C00P 1.394(3) . ?
C00E C00K 1.410(3) . ?
C00E C00M 1.382(4) . ?
C00F H00F 0.9300 . ?
C00F C00H 1.392(3) . ?
C00G C00T 1.385(3) . ?
C00H H00H 0.9300 . ?
F00I C00Z 1.292(4) . ?
C00J H00J 0.9300 . ?
C00J C00O 1.384(3) . ?
C00K C00R 1.432(4) . ?
C00K C00Y 1.405(4) . ?
C00L C00N 1.379(3) . ?
C00L C00O 1.379(3) . ?
C00L C00Z 1.488(4) . ?
C00M H00M 0.9300 . ?
C00M C00W 1.385(4) . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00P H00P 0.9300 . ?
C00P C00V 1.375(4) . ?
F00Q C00Z 1.292(4) . ?
C00R C00S 1.403(4) . ?
C00R C012 1.398(4) . ?
C00S C010 1.383(4) . ?
C00T H00T 0.9300 . ?
C00T C011 1.381(4) . ?
F00U C00Z 1.279(4) . ?
C00V H00V 0.9300 . ?
C00V C011 1.377(4) . ?
C00W H00W 0.9300 . ?
C00W C00X 1.397(4) . ?
C00X H00X 0.9300 . ?
C00X C00Y 1.361(5) . ?
C00Y H00Y 0.9300 . ?
C010 H010 0.9300 . ?
C010 C014 1.393(5) . ?
C011 H011 0.9300 . ?
C012 H012 0.9300 . ?
C012 C013 1.351(5) . ?
C013 H013 0.9300 . ?
C013 C014 1.389(6) . ?
C014 H014 0.9300 . ?
