#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:16:34 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180131 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/29/7102964.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_7102964
loop_
_publ_author_name
'Zhao, Jun-Feng'
'Zhao, Yu-Jun'
'Loh, Teck-Peng'
_publ_section_title
;
 Indium tribromide-promoted arene-terminated epoxy olefin cyclization.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1353
_journal_page_last               1355
_journal_paper_doi               10.1039/b718337b
_journal_year                    2008
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C23 H34 O'
_chemical_formula_sum            'C23 H34 O'
_chemical_formula_weight         326.50
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.9577(3)
_cell_length_b                   7.2339(2)
_cell_length_c                   46.7378(13)
_cell_measurement_reflns_used    6255
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.61
_cell_volume                     3704.76(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            21949
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         0.87
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.9932
_exptl_absorpt_correction_T_min  0.9810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.3(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         6949
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0447
_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)+(0.0656P)²+0.1625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1265
_reflns_number_gt                5900
_reflns_number_total             6949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718337b.txt
_cod_data_source_block           ltp67o
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7102964
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'
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
C1 C 0.9394(2) 0.1976(3) 0.54202(5) 0.0212(5) Uani 1 1 d . . .
H1 H 1.0240 0.2494 0.5428 0.025 Uiso 1 1 calc R . .
C2 C 0.8558(2) 0.3257(3) 0.55843(5) 0.0243(6) Uani 1 1 d . . .
H2A H 0.7710 0.2790 0.5572 0.029 Uiso 1 1 calc R . .
H2B H 0.8580 0.4501 0.5496 0.029 Uiso 1 1 calc R . .
C3 C 0.8932(2) 0.3403(3) 0.58984(5) 0.0220(5) Uani 1 1 d . . .
H3A H 0.8342 0.4207 0.6000 0.026 Uiso 1 1 calc R . .
H3B H 0.9744 0.3999 0.5910 0.026 Uiso 1 1 calc R . .
C4 C 0.8990(2) 0.1504(3) 0.60531(5) 0.0168(5) Uani 1 1 d . . .
C5 C 0.7676(2) 0.0826(3) 0.61003(5) 0.0237(5) Uani 1 1 d . . .
H5A H 0.7163 0.1225 0.5940 0.036 Uiso 1 1 calc R . .
H5B H 0.7357 0.1347 0.6279 0.036 Uiso 1 1 calc R . .
H5C H 0.7670 -0.0526 0.6112 0.036 Uiso 1 1 calc R . .
C6 C 0.9801(2) 0.0208(3) 0.58657(5) 0.0164(5) Uani 1 1 d . . .
H6 H 1.0615 0.0832 0.5860 0.020 Uiso 1 1 calc R . .
C7 C 0.9426(2) -0.0017(3) 0.55444(5) 0.0193(5) Uani 1 1 d . . .
C8 C 0.8211(2) -0.1021(3) 0.54966(6) 0.0274(6) Uani 1 1 d . . .
H8A H 0.8141 -0.1379 0.5295 0.041 Uiso 1 1 calc R . .
H8B H 0.7535 -0.0198 0.5547 0.041 Uiso 1 1 calc R . .
H8C H 0.8181 -0.2130 0.5617 0.041 Uiso 1 1 calc R . .
C9 C 1.0423(3) -0.1088(3) 0.53833(5) 0.0286(6) Uani 1 1 d . . .
H9A H 1.0380 -0.2399 0.5435 0.043 Uiso 1 1 calc R . .
H9B H 1.1226 -0.0596 0.5435 0.043 Uiso 1 1 calc R . .
H9C H 1.0298 -0.0952 0.5177 0.043 Uiso 1 1 calc R . .
C10 C 1.0036(2) -0.1618(3) 0.60211(5) 0.0204(5) Uani 1 1 d . . .
H10A H 0.9248 -0.2245 0.6058 0.025 Uiso 1 1 calc R . .
H10B H 1.0533 -0.2436 0.5898 0.025 Uiso 1 1 calc R . .
C11 C 1.0699(2) -0.1306(3) 0.63041(5) 0.0190(5) Uani 1 1 d . . .
H11A H 1.1513 -0.0772 0.6264 0.023 Uiso 1 1 calc R . .
H11B H 1.0825 -0.2515 0.6399 0.023 Uiso 1 1 calc R . .
C12 C 1.0007(2) -0.0007(3) 0.65123(5) 0.0168(5) Uani 1 1 d . . .
C13 C 0.8908(2) -0.1062(3) 0.66398(5) 0.0231(5) Uani 1 1 d . . .
H13A H 0.9203 -0.2030 0.6769 0.035 Uiso 1 1 calc R . .
H13B H 0.8433 -0.1625 0.6485 0.035 Uiso 1 1 calc R . .
H13C H 0.8390 -0.0199 0.6746 0.035 Uiso 1 1 calc R . .
C14 C 0.9678(2) 0.1779(3) 0.63421(5) 0.0157(5) Uani 1 1 d . . .
H14 H 1.0485 0.2313 0.6286 0.019 Uiso 1 1 calc R . .
C15 C 0.9125(2) 0.3216(3) 0.65468(5) 0.0220(5) Uani 1 1 d . . .
H15A H 0.8809 0.4280 0.6436 0.026 Uiso 1 1 calc R . .
H15B H 0.8437 0.2659 0.6654 0.026 Uiso 1 1 calc R . .
C16 C 1.0100(2) 0.3868(3) 0.67550(5) 0.0235(6) Uani 1 1 d . . .
H16A H 1.0653 0.4733 0.6654 0.028 Uiso 1 1 calc R . .
H16B H 0.9702 0.4558 0.6912 0.028 Uiso 1 1 calc R . .
C17 C 1.0852(2) 0.2319(3) 0.68823(5) 0.0198(5) Uani 1 1 d . . .
C18 C 1.0833(2) 0.0522(3) 0.67638(5) 0.0173(5) Uani 1 1 d . . .
C19 C 1.1572(2) -0.0806(3) 0.68966(5) 0.0229(5) Uani 1 1 d . . .
H19 H 1.1560 -0.2036 0.6825 0.028 Uiso 1 1 calc R . .
C20 C 1.2314(2) -0.0402(4) 0.71261(5) 0.0261(6) Uani 1 1 d . . .
H20 H 1.2805 -0.1347 0.7208 0.031 Uiso 1 1 calc R . .
C21 C 1.2353(2) 0.1386(4) 0.72401(5) 0.0261(6) Uani 1 1 d . . .
C22 C 1.3196(3) 0.1867(5) 0.74823(6) 0.0392(7) Uani 1 1 d . . .
H22A H 1.4013 0.2121 0.7407 0.059 Uiso 1 1 calc R . .
H22B H 1.3236 0.0829 0.7617 0.059 Uiso 1 1 calc R . .
H22C H 1.2888 0.2966 0.7582 0.059 Uiso 1 1 calc R . .
C23 C 1.1607(2) 0.2699(3) 0.71128(5) 0.0242(6) Uani 1 1 d . . .
H23 H 1.1613 0.3920 0.7188 0.029 Uiso 1 1 calc R . .
C24 C 0.8276(2) 0.6977(3) 0.96094(5) 0.0236(5) Uani 1 1 d . . .
H24 H 0.7426 0.7448 0.9583 0.028 Uiso 1 1 calc R . .
C25 C 0.9133(2) 0.8293(3) 0.94581(5) 0.0257(6) Uani 1 1 d . . .
H25A H 0.9984 0.7872 0.9486 0.031 Uiso 1 1 calc R . .
H25B H 0.9055 0.9538 0.9544 0.031 Uiso 1 1 calc R . .
C26 C 0.8869(2) 0.8418(3) 0.91393(5) 0.0220(5) Uani 1 1 d . . .
H26A H 0.9486 0.9231 0.9049 0.026 Uiso 1 1 calc R . .
H26B H 0.8060 0.9004 0.9112 0.026 Uiso 1 1 calc R . .
C27 C 0.8874(2) 0.6535(3) 0.89836(5) 0.0176(5) Uani 1 1 d . . .
C28 C 1.0206(2) 0.5896(3) 0.89520(6) 0.0250(5) Uani 1 1 d . . .
H28A H 1.0237 0.4542 0.8950 0.037 Uiso 1 1 calc R . .
H28B H 1.0688 0.6364 0.9113 0.037 Uiso 1 1 calc R . .
H28C H 1.0543 0.6375 0.8772 0.037 Uiso 1 1 calc R . .
C29 C 0.8049(2) 0.5190(3) 0.91593(5) 0.0166(5) Uani 1 1 d . . .
H29 H 0.7223 0.5775 0.9153 0.020 Uiso 1 1 calc R . .
C30 C 0.8331(2) 0.5002(3) 0.94850(5) 0.0199(5) Uani 1 1 d . . .
C31 C 0.9552(3) 0.4061(4) 0.95551(6) 0.0326(6) Uani 1 1 d . . .
H31A H 0.9588 0.3788 0.9760 0.049 Uiso 1 1 calc R . .
H31B H 1.0226 0.4886 0.9503 0.049 Uiso 1 1 calc R . .
H31C H 0.9620 0.2907 0.9446 0.049 Uiso 1 1 calc R . .
C32 C 0.7307(3) 0.3871(4) 0.96264(5) 0.0297(6) Uani 1 1 d . . .
H32A H 0.7383 0.2570 0.9570 0.045 Uiso 1 1 calc R . .
H32B H 0.6513 0.4346 0.9564 0.045 Uiso 1 1 calc R . .
H32C H 0.7371 0.3976 0.9835 0.045 Uiso 1 1 calc R . .
C33 C 0.7883(2) 0.3362(3) 0.90008(5) 0.0204(5) Uani 1 1 d . . .
H33A H 0.8690 0.2779 0.8970 0.025 Uiso 1 1 calc R . .
H33B H 0.7384 0.2513 0.9119 0.025 Uiso 1 1 calc R . .
C34 C 0.7261(2) 0.3663(3) 0.87130(5) 0.0200(5) Uani 1 1 d . . .
H34A H 0.6433 0.4164 0.8746 0.024 Uiso 1 1 calc R . .
H34B H 0.7171 0.2454 0.8616 0.024 Uiso 1 1 calc R . .
C35 C 0.7957(2) 0.4987(3) 0.85140(5) 0.0168(5) Uani 1 1 d . . .
C36 C 0.9089(2) 0.3977(3) 0.83911(5) 0.0250(6) Uani 1 1 d . . .
H36A H 0.8822 0.2996 0.8261 0.037 Uiso 1 1 calc R . .
H36B H 0.9561 0.3436 0.8548 0.037 Uiso 1 1 calc R . .
H36C H 0.9599 0.4862 0.8287 0.037 Uiso 1 1 calc R . .
C37 C 0.8244(2) 0.6781(3) 0.86870(5) 0.0165(5) Uani 1 1 d . . .
H37 H 0.7423 0.7302 0.8734 0.020 Uiso 1 1 calc R . .
C38 C 0.8820(2) 0.8232(3) 0.84883(5) 0.0218(5) Uani 1 1 d . . .
H38A H 0.9109 0.9301 0.8602 0.026 Uiso 1 1 calc R . .
H38B H 0.9530 0.7690 0.8387 0.026 Uiso 1 1 calc R . .
C39 C 0.7872(2) 0.8860(3) 0.82730(5) 0.0255(6) Uani 1 1 d . . .
H39A H 0.7306 0.9732 0.8368 0.031 Uiso 1 1 calc R . .
H39B H 0.8288 0.9539 0.8117 0.031 Uiso 1 1 calc R . .
C40 C 0.7136(2) 0.7305(3) 0.81437(5) 0.0215(5) Uani 1 1 d . . .
C41 C 0.7152(2) 0.5517(3) 0.82570(5) 0.0188(5) Uani 1 1 d . . .
C42 C 0.6420(2) 0.4185(3) 0.81244(5) 0.0231(5) Uani 1 1 d . . .
H42 H 0.6429 0.2956 0.8196 0.028 Uiso 1 1 calc R . .
C43 C 0.5686(2) 0.4592(4) 0.78937(5) 0.0262(6) Uani 1 1 d . . .
H43 H 0.5207 0.3645 0.7809 0.031 Uiso 1 1 calc R . .
C44 C 0.5640(2) 0.6384(4) 0.77835(5) 0.0274(6) Uani 1 1 d . . .
C45 C 0.4787(3) 0.6863(4) 0.75407(6) 0.0371(7) Uani 1 1 d . . .
H45A H 0.3948 0.6932 0.7613 0.056 Uiso 1 1 calc R . .
H45B H 0.4838 0.5908 0.7393 0.056 Uiso 1 1 calc R . .
H45C H 0.5020 0.8060 0.7459 0.056 Uiso 1 1 calc R . .
C46 C 0.6383(2) 0.7701(4) 0.79100(5) 0.0252(6) Uani 1 1 d . . .
H46 H 0.6380 0.8921 0.7835 0.030 Uiso 1 1 calc R . .
O1 O 0.90069(17) 0.1951(3) 0.51244(4) 0.0309(4) Uani 1 1 d . . .
H1A H 0.9598 0.2235 0.5019 0.046 Uiso 1 1 calc R . .
O2 O 0.85472(17) 0.7028(3) 0.99090(4) 0.0324(4) Uani 1 1 d . . .
H2 H 0.7896 0.6943 1.0003 0.049 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 0.0033 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'
O O 0.0106 0.0060 '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
O1 C1 C2 108.33(19) . . ?
O1 C1 C7 110.60(18) . . ?
C2 C1 C7 113.1(2) . . ?
C1 C2 C3 111.5(2) . . ?
C2 C3 C4 113.39(19) . . ?
C5 C4 C3 108.14(19) . . ?
C5 C4 C14 111.65(19) . . ?
C3 C4 C14 108.07(18) . . ?
C5 C4 C6 114.98(18) . . ?
C3 C4 C6 107.04(19) . . ?
C14 C4 C6 106.68(17) . . ?
C10 C6 C4 110.39(18) . . ?
C10 C6 C7 114.18(18) . . ?
C4 C6 C7 116.83(18) . . ?
C8 C7 C9 107.9(2) . . ?
C8 C7 C1 111.45(19) . . ?
C9 C7 C1 107.49(19) . . ?
C8 C7 C6 114.67(19) . . ?
C9 C7 C6 109.64(18) . . ?
C1 C7 C6 105.51(18) . . ?
C11 C10 C6 111.32(18) . . ?
C10 C11 C12 113.62(19) . . ?
C18 C12 C13 106.73(18) . . ?
C18 C12 C11 110.10(18) . . ?
C13 C12 C11 108.93(17) . . ?
C18 C12 C14 108.71(17) . . ?
C13 C12 C14 115.20(18) . . ?
C11 C12 C14 107.15(18) . . ?
C15 C14 C12 109.51(18) . . ?
C15 C14 C4 115.75(18) . . ?
C12 C14 C4 116.62(17) . . ?
C16 C15 C14 109.32(19) . . ?
C17 C16 C15 113.90(19) . . ?
C23 C17 C18 119.7(2) . . ?
C23 C17 C16 119.0(2) . . ?
C18 C17 C16 121.3(2) . . ?
C19 C18 C17 116.6(2) . . ?
C19 C18 C12 120.7(2) . . ?
C17 C18 C12 122.6(2) . . ?
C20 C19 C18 122.7(2) . . ?
C19 C20 C21 120.7(2) . . ?
C23 C21 C20 116.8(2) . . ?
C23 C21 C22 121.8(2) . . ?
C20 C21 C22 121.3(2) . . ?
C17 C23 C21 123.3(2) . . ?
O2 C24 C25 108.2(2) . . ?
O2 C24 C30 112.6(2) . . ?
C25 C24 C30 112.5(2) . . ?
C24 C25 C26 112.2(2) . . ?
C25 C26 C27 114.1(2) . . ?
C28 C27 C26 108.29(19) . . ?
C28 C27 C37 111.7(2) . . ?
C26 C27 C37 108.45(18) . . ?
C28 C27 C29 114.37(18) . . ?
C26 C27 C29 107.44(19) . . ?
C37 C27 C29 106.42(17) . . ?
C33 C29 C30 114.94(18) . . ?
C33 C29 C27 110.70(18) . . ?
C30 C29 C27 116.93(18) . . ?
C31 C30 C32 107.9(2) . . ?
C31 C30 C24 111.3(2) . . ?
C32 C30 C24 107.6(2) . . ?
C31 C30 C29 114.8(2) . . ?
C32 C30 C29 108.72(19) . . ?
C24 C30 C29 106.20(18) . . ?
C34 C33 C29 110.98(18) . . ?
C33 C34 C35 113.66(19) . . ?
C34 C35 C41 110.05(18) . . ?
C34 C35 C36 109.12(18) . . ?
C41 C35 C36 106.68(18) . . ?
C34 C35 C37 107.73(18) . . ?
C41 C35 C37 108.21(17) . . ?
C36 C35 C37 115.01(19) . . ?
C38 C37 C27 115.69(18) . . ?
C38 C37 C35 109.73(19) . . ?
C27 C37 C35 117.05(17) . . ?
C39 C38 C37 108.9(2) . . ?
C40 C39 C38 114.1(2) . . ?
C41 C40 C46 119.5(2) . . ?
C41 C40 C39 122.1(2) . . ?
C46 C40 C39 118.4(2) . . ?
C40 C41 C42 117.6(2) . . ?
C40 C41 C35 122.2(2) . . ?
C42 C41 C35 120.2(2) . . ?
C43 C42 C41 122.3(2) . . ?
C42 C43 C44 120.6(2) . . ?
C46 C44 C43 117.4(2) . . ?
C46 C44 C45 121.7(2) . . ?
C43 C44 C45 120.8(2) . . ?
C44 C46 C40 122.6(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
C1 O1 1.446(3) . ?
C1 C2 1.512(3) . ?
C1 C7 1.555(3) . ?
C2 C3 1.528(4) . ?
C3 C4 1.553(3) . ?
C4 C5 1.537(3) . ?
C4 C14 1.560(3) . ?
C4 C6 1.561(3) . ?
C6 C10 1.530(3) . ?
C6 C7 1.565(3) . ?
C7 C8 1.533(3) . ?
C7 C9 1.537(3) . ?
C10 C11 1.526(3) . ?
C11 C12 1.551(3) . ?
C12 C18 1.532(3) . ?
C12 C13 1.545(3) . ?
C12 C14 1.559(3) . ?
C14 C15 1.538(3) . ?
C15 C16 1.520(4) . ?
C16 C17 1.512(3) . ?
C17 C23 1.386(3) . ?
C17 C18 1.414(3) . ?
C18 C19 1.401(3) . ?
C19 C20 1.378(4) . ?
C20 C21 1.400(4) . ?
C21 C23 1.387(4) . ?
C21 C22 1.501(4) . ?
C24 O2 1.432(3) . ?
C24 C25 1.513(4) . ?
C24 C30 1.544(3) . ?
C25 C26 1.521(4) . ?
C26 C27 1.544(3) . ?
C27 C28 1.538(3) . ?
C27 C37 1.559(3) . ?
C27 C29 1.561(3) . ?
C29 C33 1.526(3) . ?
C29 C30 1.559(3) . ?
C30 C31 1.536(3) . ?
C30 C32 1.538(3) . ?
C33 C34 1.524(3) . ?
C34 C35 1.537(3) . ?
C35 C41 1.539(3) . ?
C35 C36 1.549(3) . ?
C35 C37 1.561(3) . ?
C37 C38 1.537(3) . ?
C38 C39 1.517(4) . ?
C39 C40 1.509(3) . ?
C40 C41 1.398(3) . ?
C40 C46 1.399(4) . ?
C41 C42 1.399(3) . ?
C42 C43 1.377(4) . ?
C43 C44 1.396(4) . ?
C44 C46 1.385(4) . ?
C44 C45 1.511(4) . ?
