#------------------------------------------------------------------------------
#$Date: 2025-08-22 12:33:34 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301861 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/11/7151115.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_7151115
loop_
_publ_author_name
'Nikitin, Kirill'
'Müller-Bunz, Helge'
'Ortin, Yannick'
'McGlinchey, Michael J.'
_publ_section_title
;
 Joining the rings: the preparation of 2- and 3-indenyl-triptycenes,
 and curious related processes.
;
_journal_issue                   12
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              1952
_journal_page_last               1960
_journal_paper_doi               10.1039/b703437g
_journal_volume                  5
_journal_year                    2007
_chemical_formula_sum            'C29 H20'
_chemical_formula_weight         368.45
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.741(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2911(8)
_cell_length_b                   8.3652(6)
_cell_length_c                   20.6135(15)
_cell_measurement_reflns_used    8254
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.83
_cell_measurement_theta_min      2.46
_cell_volume                     1912.9(2)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20201
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.9716
_exptl_absorpt_correction_T_min  0.8531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         5519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0584
_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)+(0.0894P)²+0.4559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                4817
_reflns_number_total             5519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703437g.txt
_cod_data_source_block           mjm132
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/c
_cod_database_code               7151115
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.38219(9) 0.09024(12) 0.12696(5) 0.01591(19) Uani 1 1 d . . .
H1 H 0.3184(13) 0.0121(18) 0.1294(7) 0.021(3) Uiso 1 1 d . . .
C2 C 0.46806(10) 0.05926(13) 0.09070(5) 0.0190(2) Uani 1 1 d . . .
H2 H 0.4644(15) -0.044(2) 0.0654(8) 0.034(4) Uiso 1 1 d . . .
C3 C 0.56766(10) 0.16908(13) 0.08941(5) 0.0207(2) Uani 1 1 d . . .
H3 H 0.6337(14) 0.1322(19) 0.0663(7) 0.027(4) Uiso 1 1 d . . .
C4 C 0.57436(9) 0.31331(13) 0.11876(5) 0.0184(2) Uani 1 1 d . . .
H4 H 0.6411(14) 0.3851(18) 0.1177(7) 0.025(4) Uiso 1 1 d . . .
C4A C 0.47642(9) 0.36828(11) 0.15290(5) 0.01407(18) Uani 1 1 d . . .
C4B C 0.39395(9) 0.50572(12) 0.12124(5) 0.01451(19) Uani 1 1 d . . .
C5 C 0.36876(9) 0.56641(12) 0.05811(5) 0.0177(2) Uani 1 1 d . . .
H5 H 0.4135(13) 0.5282(17) 0.0232(7) 0.021(3) Uiso 1 1 d . . .
C6 C 0.27677(10) 0.68141(13) 0.04352(5) 0.0205(2) Uani 1 1 d . . .
H6 H 0.2543(14) 0.7239(18) -0.0026(8) 0.026(4) Uiso 1 1 d . . .
C7 C 0.21452(10) 0.73412(13) 0.09126(5) 0.0199(2) Uani 1 1 d . . .
H7 H 0.1524(14) 0.8166(19) 0.0813(8) 0.028(4) Uiso 1 1 d . . .
C8 C 0.24146(9) 0.67340(12) 0.15584(5) 0.0179(2) Uani 1 1 d . . .
H8 H 0.1983(13) 0.7135(17) 0.1914(7) 0.019(3) Uiso 1 1 d . . .
C8A C 0.33055(9) 0.55880(11) 0.16970(5) 0.01484(19) Uani 1 1 d . . .
C9 C 0.37324(9) 0.45649(12) 0.23066(5) 0.01475(19) Uani 1 1 d . . .
H9 H 0.3544(12) 0.5018(17) 0.2730(7) 0.018(3) Uiso 1 1 d . . .
C10 C 0.32391(9) 0.28864(11) 0.20938(5) 0.01352(19) Uani 1 1 d . . .
C10A C 0.38748(9) 0.23663(11) 0.16364(5) 0.01353(18) Uani 1 1 d . . .
C11 C 0.50741(9) 0.43383(12) 0.22462(5) 0.01610(19) Uani 1 1 d . . .
H11A H 0.5518(13) 0.3526(18) 0.2566(7) 0.023(3) Uiso 1 1 d . . .
H11B H 0.5540(13) 0.5343(19) 0.2288(7) 0.023(4) Uiso 1 1 d . . .
C12 C 0.30803(9) 0.22893(12) 0.34754(5) 0.0165(2) Uani 1 1 d . . .
H12 H 0.3804(13) 0.2752(17) 0.3374(7) 0.018(3) Uiso 1 1 d . . .
C13 C 0.29731(10) 0.20807(13) 0.41204(5) 0.0204(2) Uani 1 1 d . . .
H13 H 0.3630(15) 0.242(2) 0.4478(8) 0.031(4) Uiso 1 1 d . . .
C14 C 0.19268(11) 0.13538(14) 0.42815(5) 0.0232(2) Uani 1 1 d . . .
H14 H 0.1871(15) 0.121(2) 0.4746(8) 0.037(4) Uiso 1 1 d . . .
C15 C 0.10296(11) 0.08252(14) 0.37954(6) 0.0229(2) Uani 1 1 d . . .
H15 H 0.0316(14) 0.0282(19) 0.3901(8) 0.028(4) Uiso 1 1 d . . .
C15A C 0.10905(9) 0.10503(12) 0.31143(5) 0.0181(2) Uani 1 1 d . . .
C16 C 0.01696(10) 0.05239(13) 0.26126(6) 0.0209(2) Uani 1 1 d . . .
H16 H -0.0543(15) -0.005(2) 0.2724(8) 0.032(4) Uiso 1 1 d . . .
C16A C 0.01899(9) 0.08345(12) 0.19508(5) 0.0183(2) Uani 1 1 d . . .
C17 C -0.07727(10) 0.03264(14) 0.14385(6) 0.0228(2) Uani 1 1 d . . .
H17 H -0.1416(15) -0.031(2) 0.1571(8) 0.036(4) Uiso 1 1 d . . .
C18 C -0.07779(10) 0.06893(14) 0.07956(6) 0.0230(2) Uani 1 1 d . . .
H18 H -0.1418(16) 0.028(2) 0.0437(8) 0.038(4) Uiso 1 1 d . . .
C19 C 0.01669(10) 0.16316(14) 0.06244(5) 0.0210(2) Uani 1 1 d . . .
H19 H 0.0101(15) 0.1941(19) 0.0144(8) 0.031(4) Uiso 1 1 d . . .
C20 C 0.11111(9) 0.21191(12) 0.10971(5) 0.0174(2) Uani 1 1 d . . .
H20 H 0.1731(14) 0.2780(17) 0.0967(7) 0.022(3) Uiso 1 1 d . . .
C20A C 0.11849(9) 0.16951(12) 0.17771(5) 0.01501(19) Uani 1 1 d . . .
C20B C 0.21747(9) 0.21323(11) 0.22763(5) 0.01375(19) Uani 1 1 d . . .
C20C C 0.21261(9) 0.18368(12) 0.29478(5) 0.01491(19) Uani 1 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'
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
C2 C1 C10A 119.35(9) . . ?
C2 C1 H1 120.5(8) . . ?
C10A C1 H1 120.1(8) . . ?
C1 C2 C3 121.60(10) . . ?
C1 C2 H2 119.0(9) . . ?
C3 C2 H2 119.3(9) . . ?
C4 C3 C2 122.43(10) . . ?
C4 C3 H3 120.2(9) . . ?
C2 C3 H3 117.3(9) . . ?
C3 C4 C4A 120.31(9) . . ?
C3 C4 H4 121.7(9) . . ?
C4A C4 H4 118.0(9) . . ?
C4 C4A C10A 114.21(8) . . ?
C4 C4A C4B 118.17(8) . . ?
C10A C4A C4B 103.64(7) . . ?
C4 C4A C11 120.18(8) . . ?
C10A C4A C11 98.82(7) . . ?
C4B C4A C11 98.64(7) . . ?
C5 C4B C8A 120.85(9) . . ?
C5 C4B C4A 132.51(9) . . ?
C8A C4B C4A 106.36(8) . . ?
C4B C5 C6 117.94(10) . . ?
C4B C5 H5 121.1(8) . . ?
C6 C5 H5 121.0(8) . . ?
C7 C6 C5 121.25(10) . . ?
C7 C6 H6 119.3(9) . . ?
C5 C6 H6 119.4(9) . . ?
C6 C7 C8 120.66(10) . . ?
C6 C7 H7 121.0(9) . . ?
C8 C7 H7 118.3(9) . . ?
C8A C8 C7 117.91(10) . . ?
C8A C8 H8 120.8(8) . . ?
C7 C8 H8 121.3(8) . . ?
C8 C8A C4B 121.37(9) . . ?
C8 C8A C9 131.88(9) . . ?
C4B C8A C9 106.52(8) . . ?
C8A C9 C10 103.58(7) . . ?
C8A C9 C11 99.54(8) . . ?
C10 C9 C11 99.89(8) . . ?
C8A C9 H9 114.7(8) . . ?
C10 C9 H9 117.6(8) . . ?
C11 C9 H9 118.7(8) . . ?
C10A C10 C20B 127.17(9) . . ?
C10A C10 C9 106.21(8) . . ?
C20B C10 C9 125.99(8) . . ?
C10 C10A C1 131.58(9) . . ?
C10 C10A C4A 108.36(8) . . ?
C1 C10A C4A 120.05(8) . . ?
C4A C11 C9 93.97(7) . . ?
C4A C11 H11A 112.3(8) . . ?
C9 C11 H11A 113.7(8) . . ?
C4A C11 H11B 113.9(8) . . ?
C9 C11 H11B 113.6(9) . . ?
H11A C11 H11B 108.9(12) . . ?
C13 C12 C20C 120.93(10) . . ?
C13 C12 H12 119.7(8) . . ?
C20C C12 H12 119.4(8) . . ?
C12 C13 C14 120.62(10) . . ?
C12 C13 H13 120.0(10) . . ?
C14 C13 H13 119.4(10) . . ?
C15 C14 C13 120.30(10) . . ?
C15 C14 H14 120.5(10) . . ?
C13 C14 H14 119.2(10) . . ?
C14 C15 C15A 121.00(10) . . ?
C14 C15 H15 121.1(9) . . ?
C15A C15 H15 117.9(9) . . ?
C16 C15A C15 121.38(10) . . ?
C16 C15A C20C 119.65(9) . . ?
C15 C15A C20C 118.97(10) . . ?
C16A C16 C15A 121.42(10) . . ?
C16A C16 H16 118.3(9) . . ?
C15A C16 H16 120.2(9) . . ?
C16 C16A C17 121.22(10) . . ?
C16 C16A C20A 119.64(9) . . ?
C17 C16A C20A 119.14(10) . . ?
C18 C17 C16A 121.20(10) . . ?
C18 C17 H17 121.7(10) . . ?
C16A C17 H17 117.1(10) . . ?
C17 C18 C19 119.91(10) . . ?
C17 C18 H18 121.2(10) . . ?
C19 C18 H18 118.9(10) . . ?
C20 C19 C18 120.67(10) . . ?
C20 C19 H19 121.8(9) . . ?
C18 C19 H19 117.5(9) . . ?
C19 C20 C20A 121.28(10) . . ?
C19 C20 H20 118.7(9) . . ?
C20A C20 H20 120.0(9) . . ?
C20B C20A C20 122.67(9) . . ?
C20B C20A C16A 119.73(9) . . ?
C20 C20A C16A 117.57(9) . . ?
C20C C20B C20A 119.65(9) . . ?
C20C C20B C10 120.54(9) . . ?
C20A C20B C10 119.81(8) . . ?
C20B C20C C12 122.36(9) . . ?
C20B C20C C15A 119.62(9) . . ?
C12 C20C C15A 118.02(9) . . ?
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 C2 1.3550(14) . ?
C1 C10A 1.4346(13) . ?
C1 H1 0.981(15) . ?
C2 C3 1.4562(15) . ?
C2 H2 1.009(17) . ?
C3 C4 1.3455(15) . ?
C3 H3 1.006(15) . ?
C4 C4A 1.4898(14) . ?
C4 H4 0.967(15) . ?
C4A C10A 1.5340(13) . ?
C4A C4B 1.5454(14) . ?
C4A C11 1.5544(13) . ?
C4B C5 1.3763(13) . ?
C4B C8A 1.4050(13) . ?
C5 C6 1.4066(15) . ?
C5 H5 1.005(14) . ?
C6 C7 1.3837(16) . ?
C6 H6 1.002(15) . ?
C7 C8 1.4041(15) . ?
C7 H7 0.978(16) . ?
C8 C8A 1.3804(14) . ?
C8 H8 1.011(14) . ?
C8A C9 1.5226(13) . ?
C9 C10 1.5437(13) . ?
C9 C11 1.5545(14) . ?
C9 H9 1.009(13) . ?
C10 C10A 1.3586(13) . ?
C10 C20B 1.4670(13) . ?
C11 H11A 1.013(15) . ?
C11 H11B 0.987(16) . ?
C12 C13 1.3684(14) . ?
C12 C20C 1.4320(14) . ?
C12 H12 0.962(15) . ?
C13 C14 1.4219(16) . ?
C13 H13 0.985(17) . ?
C14 C15 1.3592(17) . ?
C14 H14 0.979(17) . ?
C15 C15A 1.4308(14) . ?
C15 H15 0.985(16) . ?
C15A C16 1.3942(15) . ?
C15A C20C 1.4379(14) . ?
C16 C16A 1.3931(15) . ?
C16 H16 1.000(16) . ?
C16A C17 1.4316(15) . ?
C16A C20A 1.4348(14) . ?
C17 C18 1.3584(17) . ?
C17 H17 0.977(17) . ?
C18 C19 1.4228(16) . ?
C18 H18 0.996(17) . ?
C19 C20 1.3658(14) . ?
C19 H19 1.013(16) . ?
C20 C20A 1.4331(14) . ?
C20 H20 0.969(15) . ?
C20A C20B 1.4188(13) . ?
C20B C20C 1.4171(13) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C10A C1 C2 C3 1.68(15) . . . . ?
C1 C2 C3 C4 -6.36(17) . . . . ?
C2 C3 C4 C4A -1.54(16) . . . . ?
C3 C4 C4A C10A 12.31(14) . . . . ?
C3 C4 C4A C4B -109.98(11) . . . . ?
C3 C4 C4A C11 129.45(11) . . . . ?
C4 C4A C4B C5 19.91(16) . . . . ?
C10A C4A C4B C5 -107.58(12) . . . . ?
C11 C4A C4B C5 151.08(11) . . . . ?
C4 C4A C4B C8A -166.30(9) . . . . ?
C10A C4A C4B C8A 66.21(9) . . . . ?
C11 C4A C4B C8A -35.13(9) . . . . ?
C8A C4B C5 C6 -0.78(15) . . . . ?
C4A C4B C5 C6 172.27(10) . . . . ?
C4B C5 C6 C7 0.99(16) . . . . ?
C5 C6 C7 C8 -0.22(16) . . . . ?
C6 C7 C8 C8A -0.74(15) . . . . ?
C7 C8 C8A C4B 0.95(15) . . . . ?
C7 C8 C8A C9 -172.71(10) . . . . ?
C5 C4B C8A C8 -0.18(15) . . . . ?
C4A C4B C8A C8 -174.85(9) . . . . ?
C5 C4B C8A C9 174.90(9) . . . . ?
C4A C4B C8A C9 0.23(10) . . . . ?
C8 C8A C9 C10 106.52(12) . . . . ?
C4B C8A C9 C10 -67.84(9) . . . . ?
C8 C8A C9 C11 -150.79(11) . . . . ?
C4B C8A C9 C11 34.85(9) . . . . ?
C8A C9 C10 C10A 69.20(10) . . . . ?
C11 C9 C10 C10A -33.22(9) . . . . ?
C8A C9 C10 C20B -102.25(10) . . . . ?
C11 C9 C10 C20B 155.33(9) . . . . ?
C20B C10 C10A C1 -9.10(17) . . . . ?
C9 C10 C10A C1 179.58(10) . . . . ?
C20B C10 C10A C4A 170.09(9) . . . . ?
C9 C10 C10A C4A -1.23(10) . . . . ?
C2 C1 C10A C10 -170.82(11) . . . . ?
C2 C1 C10A C4A 10.07(14) . . . . ?
C4 C4A C10A C10 164.01(9) . . . . ?
C4B C4A C10A C10 -66.07(9) . . . . ?
C11 C4A C10A C10 35.13(10) . . . . ?
C4 C4A C10A C1 -16.69(13) . . . . ?
C4B C4A C10A C1 113.23(9) . . . . ?
C11 C4A C10A C1 -145.57(9) . . . . ?
C4 C4A C11 C9 -176.65(9) . . . . ?
C10A C4A C11 C9 -51.88(8) . . . . ?
C4B C4A C11 C9 53.49(8) . . . . ?
C8A C9 C11 C4A -53.96(8) . . . . ?
C10 C9 C11 C4A 51.75(8) . . . . ?
C20C C12 C13 C14 2.33(16) . . . . ?
C12 C13 C14 C15 1.42(17) . . . . ?
C13 C14 C15 C15A -2.83(17) . . . . ?
C14 C15 C15A C16 -179.45(11) . . . . ?
C14 C15 C15A C20C 0.55(16) . . . . ?
C15 C15A C16 C16A 175.73(10) . . . . ?
C20C C15A C16 C16A -4.27(16) . . . . ?
C15A C16 C16A C17 -178.42(10) . . . . ?
C15A C16 C16A C20A 0.86(16) . . . . ?
C16 C16A C17 C18 177.12(11) . . . . ?
C20A C16A C17 C18 -2.16(16) . . . . ?
C16A C17 C18 C19 -1.92(17) . . . . ?
C17 C18 C19 C20 2.92(17) . . . . ?
C18 C19 C20 C20A 0.27(17) . . . . ?
C19 C20 C20A C20B 177.62(10) . . . . ?
C19 C20 C20A C16A -4.25(15) . . . . ?
C16 C16A C20A C20B 4.02(15) . . . . ?
C17 C16A C20A C20B -176.69(9) . . . . ?
C16 C16A C20A C20 -174.16(10) . . . . ?
C17 C16A C20A C20 5.13(15) . . . . ?
C20 C20A C20B C20C 172.69(9) . . . . ?
C16A C20A C20B C20C -5.39(14) . . . . ?
C20 C20A C20B C10 -7.28(15) . . . . ?
C16A C20A C20B C10 174.64(9) . . . . ?
C10A C10 C20B C20C 129.51(11) . . . . ?
C9 C10 C20B C20C -60.81(13) . . . . ?
C10A C10 C20B C20A -50.52(14) . . . . ?
C9 C10 C20B C20A 119.16(10) . . . . ?
C20A C20B C20C C12 -178.23(9) . . . . ?
C10 C20B C20C C12 1.74(15) . . . . ?
C20A C20B C20C C15A 2.00(14) . . . . ?
C10 C20B C20C C15A -178.03(9) . . . . ?
C13 C12 C20C C20B 175.75(9) . . . . ?
C13 C12 C20C C15A -4.48(15) . . . . ?
C16 C15A C20C C20B 2.81(15) . . . . ?
C15 C15A C20C C20B -177.19(9) . . . . ?
C16 C15A C20C C12 -176.96(9) . . . . ?
C15 C15A C20C C12 3.04(14) . . . . ?
loop_
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1 PubChem 16724235
