#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/91/1519137.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_1519137
loop_
_publ_author_name
'Butler, Ian R.'
'Coles, Simon J.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C38H26Fe
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              1201
_journal_year                    1994
_chemical_formula_moiety         'C38 H26 Fe'
_chemical_formula_sum            'C38 H26 Fe'
_chemical_formula_weight         538.44
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 95.14(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.788(4)
_cell_length_b                   10.768(7)
_cell_length_c                   17.471(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5207(4)
_computing_cell_refinement       'DENZO and COLLECT'
_computing_data_collection
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_data_reduction        'DENZO and COLLECT'
_computing_molecular_graphics    'PLATON (Watkin, Pearce 1995)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method       'ω and φ scans to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.1678
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10309
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.606
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            un
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unk
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.915
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.830
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3949
_refine_ls_number_restraints     264
_refine_ls_restrained_S_all      0.804
_refine_ls_R_factor_all          0.0921
_refine_ls_R_factor_gt           0.0485
_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)+(0.0466P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                2192
_reflns_number_total             3949
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            eCrystal-1201.cif
_cod_data_source_block           94src254
_cod_depositor_comments
;
Citation :
Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1994) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/1201)

http://ecrystals.chem.soton.ac.uk/1201/
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1519137
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.80434(2) 0.22255(4) 0.86876(3) 0.0407(2) Uani 1 1 d . . .
C1 C 0.85233(15) 0.0995(3) 0.8275(3) 0.0494(11) Uani 1 1 d U . .
H1 H 0.8717 0.1147 0.7877 0.059 Uiso 1 1 calc R . .
C2 C 0.80509(16) 0.0512(3) 0.8188(3) 0.0556(12) Uani 1 1 d U . .
H2 H 0.7881 0.0280 0.7727 0.067 Uiso 1 1 calc R . .
C3 C 0.78811(16) 0.0442(3) 0.8925(3) 0.0602(13) Uani 1 1 d U . .
H3 H 0.7579 0.0157 0.9036 0.072 Uiso 1 1 calc R . .
C4 C 0.82466(15) 0.0876(3) 0.9460(3) 0.0500(11) Uani 1 1 d U . .
H4 H 0.8226 0.0934 0.9987 0.060 Uiso 1 1 calc R . .
C5 C 0.86575(14) 0.1216(3) 0.9070(2) 0.0424(10) Uani 1 1 d U . .
C6 C 0.91370(14) 0.1590(4) 0.9455(2) 0.0498(11) Uani 1 1 d U . .
C7 C 0.94134(14) 0.2579(4) 0.9178(3) 0.0575(12) Uani 1 1 d U . .
C8 C 0.92851(17) 0.3261(4) 0.8497(3) 0.0718(14) Uani 1 1 d U . .
H8 H 0.9001 0.3048 0.8203 0.086 Uiso 1 1 calc R . .
C9 C 0.95512(18) 0.4199(5) 0.8254(3) 0.0918(18) Uani 1 1 d U . .
H9 H 0.9450 0.4618 0.7803 0.110 Uiso 1 1 calc R . .
C10 C 0.9985(2) 0.4549(6) 0.8682(5) 0.112(2) Uani 1 1 d U . .
H10 H 1.0171 0.5194 0.8513 0.134 Uiso 1 1 calc R . .
C11 C 1.0126(2) 0.3946(6) 0.9334(5) 0.103(2) Uani 1 1 d U . .
H11 H 1.0412 0.4190 0.9610 0.124 Uiso 1 1 calc R . .
C12 C 0.98562(17) 0.2938(5) 0.9629(4) 0.0790(16) Uani 1 1 d U . .
C13 C 1.00090(19) 0.2311(6) 1.0296(4) 0.0876(18) Uani 1 1 d U . .
H13 H 1.0288 0.2573 1.0585 0.105 Uiso 1 1 calc R . .
C14 C 0.97546(19) 0.1293(5) 1.0549(3) 0.0761(16) Uani 1 1 d U . .
C15 C 0.9931(2) 0.0614(7) 1.1217(4) 0.099(2) Uani 1 1 d U . .
H15 H 1.0210 0.0877 1.1506 0.119 Uiso 1 1 calc R . .
C16 C 0.9696(3) -0.0410(7) 1.1434(4) 0.112(2) Uani 1 1 d U . .
H16 H 0.9813 -0.0835 1.1875 0.134 Uiso 1 1 calc R . .
C17 C 0.9285(2) -0.0836(5) 1.1011(3) 0.0886(17) Uani 1 1 d U . .
H17 H 0.9133 -0.1554 1.1159 0.106 Uiso 1 1 calc R . .
C18 C 0.91055(17) -0.0203(4) 1.0377(3) 0.0707(14) Uani 1 1 d U . .
H18 H 0.8829 -0.0504 1.0100 0.085 Uiso 1 1 calc R . .
C19 C 0.93246(16) 0.0918(4) 1.0113(3) 0.0577(12) Uani 1 1 d U . .
C20 C 0.75299(14) 0.3343(3) 0.8108(3) 0.0447(11) Uani 1 1 d U . .
H20 H 0.7324 0.3119 0.7681 0.054 Uiso 1 1 calc R . .
C21 C 0.74315(15) 0.3193(3) 0.8875(3) 0.0501(11) Uani 1 1 d U . .
H21 H 0.7151 0.2859 0.9045 0.060 Uiso 1 1 calc R . .
C22 C 0.78354(15) 0.3641(3) 0.9344(2) 0.0490(11) Uani 1 1 d U . .
H22 H 0.7867 0.3657 0.9879 0.059 Uiso 1 1 calc R . .
C23 C 0.81782(14) 0.4054(3) 0.8865(2) 0.0411(10) Uani 1 1 d U . .
H23 H 0.8479 0.4384 0.9032 0.049 Uiso 1 1 calc R . .
C24 C 0.79995(13) 0.3896(3) 0.8085(2) 0.0350(9) Uani 1 1 d U . .
C25 C 0.82180(13) 0.4381(3) 0.7395(2) 0.0361(9) Uani 1 1 d U . .
C26 C 0.84281(13) 0.5581(3) 0.7418(2) 0.0375(10) Uani 1 1 d U . .
C27 C 0.84058(14) 0.6413(3) 0.8048(2) 0.0474(11) Uani 1 1 d U . .
H27 H 0.8238 0.6176 0.8462 0.057 Uiso 1 1 calc R . .
C28 C 0.86250(16) 0.7551(3) 0.8059(3) 0.0600(13) Uani 1 1 d U . .
H28 H 0.8605 0.8075 0.8478 0.072 Uiso 1 1 calc R . .
C29 C 0.88800(16) 0.7933(4) 0.7441(3) 0.0687(14) Uani 1 1 d U . .
H29 H 0.9040 0.8693 0.7461 0.082 Uiso 1 1 calc R . .
C30 C 0.88932(15) 0.7206(4) 0.6823(3) 0.0629(13) Uani 1 1 d U . .
H30 H 0.9056 0.7479 0.6412 0.075 Uiso 1 1 calc R . .
C31 C 0.86637(13) 0.6025(3) 0.6778(3) 0.0444(10) Uani 1 1 d U . .
C32 C 0.86582(14) 0.5324(4) 0.6111(2) 0.0508(11) Uani 1 1 d U . .
H32 H 0.8812 0.5625 0.5697 0.061 Uiso 1 1 calc R . .
C33 C 0.84259(14) 0.4173(4) 0.6051(2) 0.0485(11) Uani 1 1 d U . .
C34 C 0.83891(17) 0.3487(4) 0.5343(3) 0.0638(13) Uani 1 1 d U . .
H34 H 0.8533 0.3798 0.4923 0.077 Uiso 1 1 calc R . .
C35 C 0.8150(2) 0.2400(4) 0.5279(3) 0.0731(15) Uani 1 1 d U . .
H35 H 0.8118 0.1984 0.4811 0.088 Uiso 1 1 calc R . .
C36 C 0.79488(18) 0.1895(4) 0.5914(3) 0.0707(14) Uani 1 1 d U . .
H36 H 0.7790 0.1135 0.5865 0.085 Uiso 1 1 calc R . .
C37 C 0.79794(15) 0.2489(3) 0.6602(3) 0.0534(11) Uani 1 1 d U . .
H37 H 0.7849 0.2119 0.7018 0.064 Uiso 1 1 calc R . .
C38 C 0.82096(14) 0.3678(3) 0.6700(2) 0.0430(10) Uani 1 1 d U . .
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'
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
C22 Fe1 C23 40.37(14) . .
C22 Fe1 C3 121.2(2) . .
C23 Fe1 C3 158.99(19) . .
C22 Fe1 C4 103.84(17) . .
C23 Fe1 C4 123.97(17) . .
C3 Fe1 C4 40.32(15) . .
C22 Fe1 C2 159.65(18) . .
C23 Fe1 C2 159.39(18) . .
C3 Fe1 C2 40.69(16) . .
C4 Fe1 C2 67.93(18) . .
C22 Fe1 C21 40.68(15) . .
C23 Fe1 C21 67.97(15) . .
C3 Fe1 C21 104.29(17) . .
C4 Fe1 C21 116.38(17) . .
C2 Fe1 C21 124.69(17) . .
C22 Fe1 C1 155.75(17) . .
C23 Fe1 C1 124.33(16) . .
C3 Fe1 C1 67.92(18) . .
C4 Fe1 C1 67.73(16) . .
C2 Fe1 C1 40.18(14) . .
C21 Fe1 C1 163.56(17) . .
C22 Fe1 C20 67.58(16) . .
C23 Fe1 C20 67.53(15) . .
C3 Fe1 C20 119.82(16) . .
C4 Fe1 C20 152.12(16) . .
C2 Fe1 C20 110.50(16) . .
C21 Fe1 C20 39.87(14) . .
C1 Fe1 C20 130.24(17) . .
C22 Fe1 C5 118.61(17) . .
C23 Fe1 C5 108.89(15) . .
C3 Fe1 C5 68.29(16) . .
C4 Fe1 C5 40.65(14) . .
C2 Fe1 C5 68.05(15) . .
C21 Fe1 C5 152.09(17) . .
C1 Fe1 C5 40.31(14) . .
C20 Fe1 C5 166.80(17) . .
C22 Fe1 C24 68.24(15) . .
C23 Fe1 C24 40.40(14) . .
C3 Fe1 C24 156.82(17) . .
C4 Fe1 C24 162.83(15) . .
C2 Fe1 C24 124.50(17) . .
C21 Fe1 C24 68.22(15) . .
C1 Fe1 C24 112.93(16) . .
C20 Fe1 C24 40.62(13) . .
C5 Fe1 C24 128.49(15) . .
C2 C1 C5 109.1(4) . .
C2 C1 Fe1 69.4(2) . .
C5 C1 Fe1 70.9(2) . .
C2 C1 H1 125.5 . .
C5 C1 H1 125.5 . .
Fe1 C1 H1 125.9 . .
C1 C2 C3 107.8(4) . .
C1 C2 Fe1 70.4(2) . .
C3 C2 Fe1 69.0(2) . .
C1 C2 H2 126.1 . .
C3 C2 H2 126.1 . .
Fe1 C2 H2 126.1 . .
C4 C3 C2 108.0(4) . .
C4 C3 Fe1 70.0(2) . .
C2 C3 Fe1 70.3(2) . .
C4 C3 H3 126.0 . .
C2 C3 H3 126.0 . .
Fe1 C3 H3 125.3 . .
C3 C4 C5 109.4(4) . .
C3 C4 Fe1 69.7(2) . .
C5 C4 Fe1 71.7(2) . .
C3 C4 H4 125.3 . .
C5 C4 H4 125.3 . .
Fe1 C4 H4 124.9 . .
C1 C5 C4 105.7(4) . .
C1 C5 C6 129.0(4) . .
C4 C5 C6 125.0(4) . .
C1 C5 Fe1 68.8(2) . .
C4 C5 Fe1 67.7(2) . .
C6 C5 Fe1 132.6(2) . .
C19 C6 C7 119.2(4) . .
C19 C6 C5 118.5(4) . .
C7 C6 C5 122.3(4) . .
C8 C7 C6 124.8(4) . .
C8 C7 C12 117.1(5) . .
C6 C7 C12 118.1(5) . .
C9 C8 C7 123.5(5) . .
C9 C8 H8 118.3 . .
C7 C8 H8 118.3 . .
C8 C9 C10 120.1(6) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C11 C10 C9 119.5(6) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 123.2(6) . .
C10 C11 H11 118.4 . .
C12 C11 H11 118.4 . .
C13 C12 C11 122.7(6) . .
C13 C12 C7 120.6(5) . .
C11 C12 C7 116.7(6) . .
C12 C13 C14 121.6(5) . .
C12 C13 H13 119.2 . .
C14 C13 H13 119.2 . .
C13 C14 C19 118.7(5) . .
C13 C14 C15 120.9(6) . .
C19 C14 C15 120.3(6) . .
C16 C15 C14 120.4(6) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 121.2(6) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C18 C17 C16 119.7(6) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 123.0(5) . .
C17 C18 H18 118.5 . .
C19 C18 H18 118.5 . .
C14 C19 C6 121.4(5) . .
C14 C19 C18 115.2(5) . .
C6 C19 C18 123.3(4) . .
C21 C20 C24 109.3(4) . .
C21 C20 Fe1 69.4(2) . .
C24 C20 Fe1 70.5(2) . .
C21 C20 H20 125.4 . .
C24 C20 H20 125.4 . .
Fe1 C20 H20 126.3 . .
C20 C21 C22 107.6(4) . .
C20 C21 Fe1 70.7(2) . .
C22 C21 Fe1 68.8(2) . .
C20 C21 H21 126.2 . .
C22 C21 H21 126.2 . .
Fe1 C21 H21 125.9 . .
C23 C22 C21 108.0(4) . .
C23 C22 Fe1 69.8(2) . .
C21 C22 Fe1 70.5(2) . .
C23 C22 H22 126.0 . .
C21 C22 H22 126.0 . .
Fe1 C22 H22 125.3 . .
C22 C23 C24 109.8(4) . .
C22 C23 Fe1 69.8(2) . .
C24 C23 Fe1 72.1(2) . .
C22 C23 H23 125.1 . .
C24 C23 H23 125.1 . .
Fe1 C23 H23 124.6 . .
C23 C24 C20 105.2(3) . .
C23 C24 C25 127.0(3) . .
C20 C24 C25 127.2(4) . .
C23 C24 Fe1 67.5(2) . .
C20 C24 Fe1 68.89(19) . .
C25 C24 Fe1 134.5(2) . .
C26 C25 C38 118.8(3) . .
C26 C25 C24 119.5(3) . .
C38 C25 C24 121.6(3) . .
C25 C26 C27 123.3(4) . .
C25 C26 C31 120.0(3) . .
C27 C26 C31 116.7(3) . .
C28 C27 C26 121.6(4) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C27 C28 C29 120.4(4) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C30 C29 C28 120.1(4) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C31 121.6(4) . .
C29 C30 H30 119.2 . .
C31 C30 H30 119.2 . .
C32 C31 C30 120.2(4) . .
C32 C31 C26 120.3(4) . .
C30 C31 C26 119.4(4) . .
C31 C32 C33 121.0(4) . .
C31 C32 H32 119.5 . .
C33 C32 H32 119.5 . .
C32 C33 C38 119.7(4) . .
C32 C33 C34 121.2(4) . .
C38 C33 C34 119.2(4) . .
C35 C34 C33 121.0(4) . .
C35 C34 H34 119.5 . .
C33 C34 H34 119.5 . .
C34 C35 C36 120.2(5) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C37 C36 C35 121.5(4) . .
C37 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
C36 C37 C38 121.2(4) . .
C36 C37 H37 119.4 . .
C38 C37 H37 119.4 . .
C25 C38 C33 120.0(4) . .
C25 C38 C37 123.1(4) . .
C33 C38 C37 116.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C22 2.023(4) .
Fe1 C23 2.023(4) .
Fe1 C3 2.025(4) .
Fe1 C4 2.029(4) .
Fe1 C2 2.043(4) .
Fe1 C21 2.045(4) .
Fe1 C1 2.056(4) .
Fe1 C20 2.061(4) .
Fe1 C5 2.082(4) .
Fe1 C24 2.083(4) .
C1 C2 1.408(5) .
C1 C5 1.426(5) .
C1 H1 0.9300 .
C2 C3 1.414(6) .
C2 H2 0.9300 .
C3 C4 1.397(5) .
C3 H3 0.9300 .
C4 C5 1.429(5) .
C4 H4 0.9300 .
C5 C6 1.493(5) .
C6 C19 1.417(6) .
C6 C7 1.424(5) .
C7 C8 1.415(6) .
C7 C12 1.453(6) .
C8 C9 1.344(6) .
C8 H8 0.9300 .
C9 C10 1.411(7) .
C9 H9 0.9300 .
C10 C11 1.339(8) .
C10 H10 0.9300 .
C11 C12 1.440(7) .
C11 H11 0.9300 .
C12 C13 1.381(7) .
C13 C14 1.397(7) .
C13 H13 0.9300 .
C14 C19 1.416(6) .
C14 C15 1.428(7) .
C15 C16 1.353(8) .
C15 H15 0.9300 .
C16 C17 1.381(7) .
C16 H16 0.9300 .
C17 C18 1.356(6) .
C17 H17 0.9300 .
C18 C19 1.446(6) .
C18 H18 0.9300 .
C20 C21 1.400(5) .
C20 C24 1.439(5) .
C20 H20 0.9300 .
C21 C22 1.414(5) .
C21 H21 0.9300 .
C22 C23 1.396(5) .
C22 H22 0.9300 .
C23 C24 1.419(5) .
C23 H23 0.9300 .
C24 C25 1.491(5) .
C25 C26 1.417(5) .
C25 C38 1.430(5) .
C26 C27 1.425(5) .
C26 C31 1.428(5) .
C27 C28 1.368(5) .
C27 H27 0.9300 .
C28 C29 1.406(6) .
C28 H28 0.9300 .
C29 C30 1.337(6) .
C29 H29 0.9300 .
C30 C31 1.422(5) .
C30 H30 0.9300 .
C31 C32 1.388(5) .
C32 C33 1.397(5) .
C32 H32 0.9300 .
C33 C38 1.433(5) .
C33 C34 1.437(5) .
C34 C35 1.346(6) .
C34 H34 0.9300 .
C35 C36 1.396(6) .
C35 H35 0.9300 .
C36 C37 1.358(5) .
C36 H36 0.9300 .
C37 C38 1.434(5) .
C37 H37 0.9300 .
