#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:36:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180229 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/15/7111595.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111595
loop_
_publ_author_name
'Ramakrishnan, S.'
'Anju, K. S.'
'Thomas, Ajesh P.'
'Suresh, E.'
'Srinivasan, A.'
_publ_section_title
;
 Calix[n]metallocenyl[m]phyrins (n = 1, 2 and m = 2, 4): aryl vs. alkyl
;
_journal_issue                   26
_journal_name_full               'Chemical Communications'
_journal_page_first              4746
_journal_page_last               4748
_journal_paper_doi               10.1039/c001187h
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C62 H50 F10 Fe2 N4'
_chemical_formula_weight         1152.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.468(2)
_cell_angle_beta                 99.411(2)
_cell_angle_gamma                106.469(2)
_cell_formula_units_Z            1
_cell_length_a                   11.0784(17)
_cell_length_b                   11.4123(17)
_cell_length_c                   12.3519(19)
_cell_measurement_reflns_used    2112
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.48
_cell_volume                     1246.8(3)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'BRUKER SMART APEX CDD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA-PHI SCAN'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10763
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.9242
_exptl_absorpt_correction_T_min  0.8249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   BRUKER-SADABS
_exptl_crystal_colour            BROWN
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCKS
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.809
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0542P)²+1.0799P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                4862
_reflns_number_total             5645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C001187Hsup1.cif
_cod_data_source_block           215rkm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7111595
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_refinement_flags
Fe1 Fe 0.82692(3) 0.59613(4) 0.71909(3) 0.01352(11) Uani 1 d .
F1 F 0.56269(16) -0.30579(16) 0.19828(15) 0.0234(3) Uani 1 d .
F2 F 0.34325(16) -0.48885(16) -0.01609(16) 0.0274(4) Uani 1 d .
F3 F 0.28916(16) -0.42723(19) -0.20142(16) 0.0316(4) Uani 1 d .
F4 F 0.45993(17) -0.18225(19) -0.17284(16) 0.0293(4) Uani 1 d .
F5 F 0.67940(15) 0.00151(16) 0.04013(15) 0.0228(3) Uani 1 d .
N1 N 0.8300(2) 0.1413(2) 0.4817(2) 0.0156(4) Uani 1 d .
N2 N 0.9931(2) 0.0891(2) 0.3437(2) 0.0151(4) Uani 1 d .
C1 C 0.9192(2) 0.4662(3) 0.7289(2) 0.0146(5) Uani 1 d .
C2 C 0.9383(2) 0.4932(3) 0.6298(2) 0.0158(5) Uani 1 d .
H2 H 0.9095 0.4194 0.5371 0.019 Uiso 1 calc R
C3 C 1.0054(3) 0.6452(3) 0.6880(3) 0.0179(5) Uani 1 d .
H3 H 1.0314 0.6943 0.6427 0.021 Uiso 1 calc R
C4 C 1.0272(3) 0.7131(3) 0.8228(3) 0.0203(6) Uani 1 d .
H4 H 1.0711 0.8175 0.8871 0.024 Uiso 1 calc R
C5 C 0.9749(2) 0.6044(3) 0.8488(3) 0.0177(5) Uani 1 d .
H5 H 0.9761 0.6208 0.9342 0.021 Uiso 1 calc R
C6 C 0.7232(2) 0.6914(3) 0.6577(3) 0.0164(5) Uani 1 d .
C7 C 0.7307(2) 0.7294(3) 0.7865(3) 0.0172(5) Uani 1 d .
H7 H 0.7721 0.8280 0.8637 0.021 Uiso 1 calc R
C8 C 0.6701(3) 0.6012(3) 0.7856(3) 0.0199(5) Uani 1 d .
H8 H 0.6611 0.5959 0.8610 0.024 Uiso 1 calc R
C9 C 0.6251(3) 0.4826(3) 0.6561(3) 0.0210(6) Uani 1 d .
H9 H 0.5794 0.3804 0.6261 0.025 Uiso 1 calc R
C10 C 0.6569(2) 0.5364(3) 0.5769(3) 0.0200(5) Uani 1 d .
H10 H 0.6375 0.4778 0.4830 0.024 Uiso 1 calc R
C11 C 0.8693(3) 0.3191(3) 0.7144(2) 0.0151(5) Uani 1 d .
C12 C 0.7795(2) 0.2011(3) 0.5761(2) 0.0143(5) Uani 1 d .
C13 C 0.6409(3) 0.1354(3) 0.5193(3) 0.0174(5) Uani 1 d .
H13 H 0.5802 0.1546 0.5615 0.021 Uiso 1 calc R
C14 C 0.6084(3) 0.0351(3) 0.3872(3) 0.0172(5) Uani 1 d .
H14 H 0.5224 -0.0238 0.3258 0.021 Uiso 1 calc R
C15 C 0.7273(2) 0.0390(3) 0.3640(2) 0.0160(5) Uani 1 d .
C16 C 0.7511(2) -0.0402(3) 0.2468(2) 0.0150(5) Uani 1 d .
C17 C 0.8761(3) -0.0204(3) 0.2371(2) 0.0158(5) Uani 1 d .
C18 C 0.9125(3) -0.0917(3) 0.1246(2) 0.0170(5) Uani 1 d .
H18 H 0.8549 -0.1695 0.0421 0.020 Uiso 1 calc R
C19 C 1.0472(3) -0.0229(3) 0.1630(2) 0.0171(5) Uani 1 d .
H19 H 1.1003 -0.0441 0.1119 0.021 Uiso 1 calc R
C20 C 1.0929(3) 0.0904(3) 0.2995(2) 0.0160(5) Uani 1 d .
C21 C 1.2349(2) 0.2022(3) 0.3847(2) 0.0160(5) Uani 1 d .
C22 C 0.6296(2) -0.1453(3) 0.1270(2) 0.0160(5) Uani 1 d .
C23 C 0.5401(3) -0.2715(3) 0.1088(2) 0.0180(5) Uani 1 d .
C24 C 0.4264(3) -0.3665(3) -0.0009(3) 0.0201(6) Uani 1 d .
C25 C 0.3981(3) -0.3365(3) -0.0958(3) 0.0223(6) Uani 1 d .
C26 C 0.4853(3) -0.2115(3) -0.0806(3) 0.0207(6) Uani 1 d .
C27 C 0.5981(3) -0.1191(3) 0.0293(3) 0.0179(5) Uani 1 d .
C28 C 0.9951(3) 0.2926(3) 0.7497(3) 0.0199(5) Uani 1 d .
H28A H 0.9682 0.1977 0.7360 0.030 Uiso 1 calc R
H28B H 1.0489 0.3639 0.8394 0.030 Uiso 1 calc R
H28C H 1.0464 0.2998 0.6958 0.030 Uiso 1 calc R
C29 C 0.7934(3) 0.3177(3) 0.8070(3) 0.0208(6) Uani 1 d .
H29A H 0.7154 0.3348 0.7859 0.031 Uiso 1 calc R
H29B H 0.8507 0.3922 0.8949 0.031 Uiso 1 calc R
H29C H 0.7664 0.2252 0.7983 0.031 Uiso 1 calc R
C30 C 1.2451(3) 0.2815(3) 0.5273(3) 0.0217(6) Uani 1 d .
H30A H 1.3367 0.3467 0.5812 0.033 Uiso 1 calc R
H30B H 1.2144 0.2124 0.5512 0.033 Uiso 1 calc R
H30C H 1.1904 0.3353 0.5390 0.033 Uiso 1 calc R
C31 C 1.3304(3) 0.1249(3) 0.3685(3) 0.0208(6) Uani 1 d .
H31A H 1.3190 0.0687 0.2781 0.031 Uiso 1 calc R
H31B H 1.3103 0.0623 0.4007 0.031 Uiso 1 calc R
H31C H 1.4214 0.1957 0.4165 0.031 Uiso 1 calc R
H1C H 0.909(3) 0.157(3) 0.485(3) 0.025(9) Uiso 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
C9 Fe1 C4 166.20(11) . .
C9 Fe1 C8 40.56(11) . .
C4 Fe1 C8 128.22(11) . .
C9 Fe1 C5 128.48(11) . .
C4 Fe1 C5 40.49(10) . .
C8 Fe1 C5 108.87(11) . .
C9 Fe1 C7 68.13(11) . .
C4 Fe1 C7 108.34(11) . .
C8 Fe1 C7 40.63(10) . .
C5 Fe1 C7 119.38(11) . .
C9 Fe1 C10 40.57(11) . .
C4 Fe1 C10 151.96(11) . .
C8 Fe1 C10 68.31(11) . .
C5 Fe1 C10 165.94(10) . .
C7 Fe1 C10 68.12(11) . .
C9 Fe1 C2 118.63(11) . .
C4 Fe1 C2 68.31(10) . .
C8 Fe1 C2 152.79(11) . .
C5 Fe1 C2 68.32(10) . .
C7 Fe1 C2 164.92(10) . .
C10 Fe1 C2 107.49(11) . .
C9 Fe1 C3 152.15(11) . .
C4 Fe1 C3 40.54(11) . .
C8 Fe1 C3 165.61(11) . .
C5 Fe1 C3 68.20(11) . .
C7 Fe1 C3 127.38(10) . .
C10 Fe1 C3 118.03(11) . .
C2 Fe1 C3 40.65(10) . .
C9 Fe1 C1 108.21(10) . .
C4 Fe1 C1 68.57(10) . .
C8 Fe1 C1 119.19(10) . .
C5 Fe1 C1 40.89(10) . .
C7 Fe1 C1 153.34(10) . .
C10 Fe1 C1 127.34(10) . .
C2 Fe1 C1 40.65(10) . .
C3 Fe1 C1 68.51(10) . .
C9 Fe1 C6 68.61(10) . .
C4 Fe1 C6 118.04(10) . .
C8 Fe1 C6 68.63(10) . .
C5 Fe1 C6 152.33(10) . .
C7 Fe1 C6 40.55(10) . .
C10 Fe1 C6 40.86(10) . .
C2 Fe1 C6 126.82(10) . .
C3 Fe1 C6 107.02(10) . .
C1 Fe1 C6 164.97(10) . .
C12 N1 C15 110.3(2) . .
C12 N1 H1C 130(2) . .
C15 N1 H1C 119(2) . .
C20 N2 C17 106.4(2) . .
C2 C1 C5 106.8(2) . .
C2 C1 C11 126.5(2) . .
C5 C1 C11 126.1(2) . .
C2 C1 Fe1 69.16(14) . .
C5 C1 Fe1 68.92(14) . .
C11 C1 Fe1 133.72(17) . .
C3 C2 C1 108.5(2) . .
C3 C2 Fe1 69.68(14) . .
C1 C2 Fe1 70.19(14) . .
C3 C2 H2 125.7 . .
C1 C2 H2 125.7 . .
Fe1 C2 H2 125.7 . .
C4 C3 C2 107.9(2) . .
C4 C3 Fe1 69.44(15) . .
C2 C3 Fe1 69.67(14) . .
C4 C3 H3 126.1 . .
C2 C3 H3 126.1 . .
Fe1 C3 H3 126.1 . .
C5 C4 C3 108.3(2) . .
C5 C4 Fe1 69.92(15) . .
C3 C4 Fe1 70.02(15) . .
C5 C4 H4 125.8 . .
C3 C4 H4 125.8 . .
Fe1 C4 H4 125.8 . .
C4 C5 C1 108.4(2) . .
C4 C5 Fe1 69.59(15) . .
C1 C5 Fe1 70.19(14) . .
C4 C5 H5 125.8 . .
C1 C5 H5 125.8 . .
Fe1 C5 H5 125.8 . .
C7 C6 C10 106.5(2) . .
C7 C6 C21 125.4(2) . 2_766
C10 C6 C21 127.8(2) . 2_766
C7 C6 Fe1 69.00(14) . .
C10 C6 Fe1 68.87(14) . .
C21 C6 Fe1 131.59(17) 2_766 .
C8 C7 C6 109.0(2) . .
C8 C7 Fe1 69.62(14) . .
C6 C7 Fe1 70.45(14) . .
C8 C7 H7 125.5 . .
C6 C7 H7 125.5 . .
Fe1 C7 H7 125.5 . .
C9 C8 C7 107.6(2) . .
C9 C8 Fe1 69.41(15) . .
C7 C8 Fe1 69.74(14) . .
C9 C8 H8 126.2 . .
C7 C8 H8 126.2 . .
Fe1 C8 H8 126.2 . .
C8 C9 C10 108.5(2) . .
C8 C9 Fe1 70.04(15) . .
C10 C9 Fe1 70.11(15) . .
C8 C9 H9 125.7 . .
C10 C9 H9 125.7 . .
Fe1 C9 H9 125.7 . .
C9 C10 C6 108.4(2) . .
C9 C10 Fe1 69.32(15) . .
C6 C10 Fe1 70.27(14) . .
C9 C10 H10 125.8 . .
C6 C10 H10 125.8 . .
Fe1 C10 H10 125.8 . .
C12 C11 C1 110.7(2) . .
C12 C11 C29 109.5(2) . .
C1 C11 C29 111.3(2) . .
C12 C11 C28 109.7(2) . .
C1 C11 C28 106.5(2) . .
C29 C11 C28 109.1(2) . .
N1 C12 C13 107.3(2) . .
N1 C12 C11 121.8(2) . .
C13 C12 C11 130.9(2) . .
C12 C13 C14 107.9(2) . .
C12 C13 H13 126.0 . .
C14 C13 H13 126.0 . .
C15 C14 C13 107.8(2) . .
C15 C14 H14 126.1 . .
C13 C14 H14 126.1 . .
N1 C15 C14 106.6(2) . .
N1 C15 C16 122.6(2) . .
C14 C15 C16 130.8(2) . .
C17 C16 C15 124.4(2) . .
C17 C16 C22 119.2(2) . .
C15 C16 C22 116.2(2) . .
C16 C17 N2 121.3(2) . .
C16 C17 C18 129.4(2) . .
N2 C17 C18 109.1(2) . .
C19 C18 C17 106.3(2) . .
C19 C18 H18 126.8 . .
C17 C18 H18 126.8 . .
C18 C19 C20 106.8(2) . .
C18 C19 H19 126.6 . .
C20 C19 H19 126.6 . .
N2 C20 C19 111.4(2) . .
N2 C20 C21 121.7(2) . .
C19 C20 C21 126.9(2) . .
C20 C21 C6 110.1(2) . 2_766
C20 C21 C30 110.0(2) . .
C6 C21 C30 110.6(2) 2_766 .
C20 C21 C31 108.9(2) . .
C6 C21 C31 107.8(2) 2_766 .
C30 C21 C31 109.2(2) . .
C27 C22 C23 116.2(2) . .
C27 C22 C16 121.4(2) . .
C23 C22 C16 122.3(2) . .
F1 C23 C24 117.6(2) . .
F1 C23 C22 120.3(2) . .
C24 C23 C22 122.0(2) . .
F2 C24 C25 119.6(2) . .
F2 C24 C23 120.3(2) . .
C25 C24 C23 120.1(2) . .
F3 C25 C24 120.4(2) . .
F3 C25 C26 120.3(3) . .
C24 C25 C26 119.3(2) . .
F4 C26 C27 120.7(2) . .
F4 C26 C25 119.9(2) . .
C27 C26 C25 119.4(2) . .
F5 C27 C26 117.2(2) . .
F5 C27 C22 119.8(2) . .
C26 C27 C22 122.9(2) . .
C11 C28 H28A 109.5 . .
C11 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C11 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C11 C29 H29A 109.5 . .
C11 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C11 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C21 C30 H30A 109.5 . .
C21 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C21 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C21 C31 H31A 109.5 . .
C21 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C21 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C9 2.035(3) .
Fe1 C4 2.040(3) .
Fe1 C8 2.044(3) .
Fe1 C5 2.044(3) .
Fe1 C7 2.045(2) .
Fe1 C10 2.046(3) .
Fe1 C2 2.047(2) .
Fe1 C3 2.047(3) .
Fe1 C1 2.061(2) .
Fe1 C6 2.064(3) .
F1 C23 1.342(3) .
F2 C24 1.344(3) .
F3 C25 1.327(3) .
F4 C26 1.337(3) .
F5 C27 1.346(3) .
N1 C12 1.355(3) .
N1 C15 1.382(3) .
N1 H1C 0.84(3) .
N2 C20 1.310(3) .
N2 C17 1.408(3) .
C1 C2 1.427(3) .
C1 C5 1.434(3) .
C1 C11 1.523(3) .
C2 C3 1.422(3) .
C2 H2 0.9800 .
C3 C4 1.416(4) .
C3 H3 0.9800 .
C4 C5 1.413(4) .
C4 H4 0.9800 .
C5 H5 0.9800 .
C6 C7 1.424(4) .
C6 C10 1.435(3) .
C6 C21 1.520(4) 2_766
C7 C8 1.420(4) .
C7 H7 0.9800 .
C8 C9 1.414(4) .
C8 H8 0.9800 .
C9 C10 1.415(4) .
C9 H9 0.9800 .
C10 H10 0.9800 .
C11 C12 1.511(3) .
C11 C29 1.530(3) .
C11 C28 1.544(3) .
C12 C13 1.386(4) .
C13 C14 1.397(4) .
C13 H13 0.9300 .
C14 C15 1.386(4) .
C14 H14 0.9300 .
C15 C16 1.427(3) .
C16 C17 1.372(4) .
C16 C22 1.496(3) .
C17 C18 1.443(3) .
C18 C19 1.352(4) .
C18 H18 0.9300 .
C19 C20 1.452(4) .
C19 H19 0.9300 .
C20 C21 1.513(3) .
C21 C6 1.520(4) 2_766
C21 C30 1.530(4) .
C21 C31 1.540(3) .
C22 C27 1.386(4) .
C22 C23 1.388(3) .
C23 C24 1.382(4) .
C24 C25 1.379(4) .
C25 C26 1.383(4) .
C26 C27 1.376(4) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
