#------------------------------------------------------------------------------
#$Date: 2020-12-09 02:47:09 +0100 (Wed 09 de Dec de 2020) $
#$Revision: 259662 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/74/7127498.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_7127498
loop_
_publ_author_name
'Kumar, Krishna'
'Singh, Bhuvnesh'
'Singh, Ravi P.'
_publ_section_title
;
 A silver-catalyzed stereoselective domino cycloisomerization-vinylogous
 aldol reaction of ortho-alkynylbenzaldehydes with 3-alkylidene
 oxindoles: an entry to functionalized isochromenes.
;
_journal_issue                   96
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              15153
_journal_page_last               15156
_journal_paper_doi               10.1039/d0cc06273a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C38 H35 N O5'
_chemical_formula_sum            'C38 H35 N O5'
_chemical_formula_weight         585.67
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-09-16 deposited with the CCDC.	2020-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                89.428(2)
_cell_angle_beta                 77.020(2)
_cell_angle_gamma                75.639(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5434(7)
_cell_length_b                   12.2090(8)
_cell_length_c                   12.9764(9)
_cell_measurement_reflns_used    9392
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      24.60
_cell_measurement_theta_min      2.30
_cell_volume                     1574.99(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      302(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            64865
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.387
_diffrn_reflns_theta_min         1.724
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   0.987
_exptl_transmission_factor_min   0.983
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         7882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.1151
_refine_ls_R_factor_gt           0.0626
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.5115P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.2020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4522
_reflns_number_total             7910
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc06273a2.cif
_cod_data_source_block           KK01_0m_a
_cod_database_code               7127498
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_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_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
O3 O 0.50994(15) 0.32617(11) 0.35195(11) 0.0570(4) Uani 1 1 d . . . . .
O2 O 0.34997(19) 0.13215(18) 0.60934(13) 0.0865(6) Uani 1 1 d . . . . .
O4 O 0.14980(18) 0.15245(18) 0.77531(14) 0.0850(6) Uani 1 1 d . . . . .
O1 O 0.75911(19) 0.36679(17) 0.12917(13) 0.0829(5) Uani 1 1 d . . . . .
N1 N 0.33949(18) 0.19560(16) 0.78029(13) 0.0599(5) Uani 1 1 d . . . . .
O5 O 0.2132(2) 0.1409(2) 0.92906(14) 0.0983(7) Uani 1 1 d . . . . .
C5 C 0.5186(2) 0.27651(17) 0.74793(15) 0.0517(5) Uani 1 1 d . . . . .
C21 C 0.5709(2) 0.16223(17) 0.45571(15) 0.0518(5) Uani 1 1 d . . . . .
H21A H 0.5445 0.0944 0.4811 0.062 Uiso 1 1 calc R U . . .
H21B H 0.6560 0.1390 0.4042 0.062 Uiso 1 1 calc R U . . .
C22 C 0.4652(2) 0.23152(17) 0.40154(15) 0.0540(5) Uani 1 1 d . . . . .
H22 H 0.3832 0.2620 0.4563 0.065 Uiso 1 1 calc R U . . .
C7 C 0.5098(2) 0.23163(17) 0.64607(15) 0.0531(5) Uani 1 1 d . . . . .
C16 C 0.7009(2) 0.28352(18) 0.52235(15) 0.0529(5) Uani 1 1 d . . . . .
C14 C 0.5900(2) 0.22650(16) 0.54740(14) 0.0493(4) Uani 1 1 d . . . . .
C1 C 0.4180(2) 0.25071(18) 0.82686(16) 0.0561(5) Uani 1 1 d . . . . .
C6 C 0.6060(2) 0.33200(19) 0.77758(17) 0.0626(5) Uani 1 1 d . . . . .
H6 H 0.6747 0.3495 0.7268 0.075 Uiso 1 1 calc R U . . .
C33 C 0.9511(3) 0.4374(2) 0.15043(19) 0.0692(6) Uani 1 1 d . . . . .
C30 C 0.5978(2) 0.30234(18) 0.25450(16) 0.0554(5) Uani 1 1 d . . . . .
C23 C 0.4315(2) 0.15886(18) 0.32418(17) 0.0571(5) Uani 1 1 d . . . . .
C8 C 0.3931(2) 0.1794(2) 0.66977(16) 0.0620(6) Uani 1 1 d . . . . .
C28 C 0.5047(2) 0.14864(18) 0.21907(16) 0.0586(5) Uani 1 1 d . . . . .
C9 C 0.2281(2) 0.1595(2) 0.83710(18) 0.0655(6) Uani 1 1 d . . . . .
C29 C 0.5997(2) 0.21781(18) 0.19039(16) 0.0595(5) Uani 1 1 d . . . . .
H29 H 0.6628 0.2027 0.1261 0.071 Uiso 1 1 calc R U . . .
C3 C 0.4891(3) 0.3353(2) 0.95949(18) 0.0733(7) Uani 1 1 d . . . . .
H3 H 0.4796 0.3563 1.0301 0.088 Uiso 1 1 calc R U . . .
C17 C 0.8305(2) 0.2222(2) 0.48080(19) 0.0719(6) Uani 1 1 d . . . . .
H17 H 0.8496 0.1438 0.4723 0.086 Uiso 1 1 calc R U . . .
C15 C 0.6759(3) 0.4001(2) 0.53222(19) 0.0702(6) Uani 1 1 d . . . . .
H15 H 0.5888 0.4434 0.5593 0.084 Uiso 1 1 calc R U . . .
C2 C 0.4018(3) 0.2789(2) 0.93292(17) 0.0686(6) Uani 1 1 d . . . . .
H2 H 0.3345 0.2605 0.9844 0.082 Uiso 1 1 calc R U . . .
C4 C 0.5898(3) 0.3610(2) 0.88354(19) 0.0711(6) Uani 1 1 d . . . . .
H4 H 0.6479 0.3985 0.9035 0.085 Uiso 1 1 calc R U . . .
C34 C 1.0460(3) 0.3363(2) 0.1464(2) 0.0829(8) Uani 1 1 d . . . . .
H34 H 1.0359 0.2724 0.1140 0.099 Uiso 1 1 calc R U . . .
C31 C 0.6810(3) 0.3852(2) 0.23382(18) 0.0674(6) Uani 1 1 d . . . . .
H31A H 0.6234 0.4616 0.2437 0.081 Uiso 1 1 calc R U . . .
H31B H 0.7393 0.3766 0.2831 0.081 Uiso 1 1 calc R U . . .
C24 C 0.3364(3) 0.0981(2) 0.3560(2) 0.0777(7) Uani 1 1 d . . . . .
H24 H 0.2874 0.1054 0.4258 0.093 Uiso 1 1 calc R U . . .
C27 C 0.4795(3) 0.0761(2) 0.1484(2) 0.0762(7) Uani 1 1 d . . . . .
H27 H 0.5272 0.0685 0.0781 0.091 Uiso 1 1 calc R U . . .
C13 C 0.0342(3) 0.1027(3) 0.8062(2) 0.0839(8) Uani 1 1 d . . . . .
C18 C 0.9328(3) 0.2768(3) 0.4515(2) 0.0975(10) Uani 1 1 d . . . . .
H18 H 1.0203 0.2346 0.4236 0.117 Uiso 1 1 calc R U . . .
C20 C 0.7796(4) 0.4523(3) 0.5021(2) 0.0944(10) Uani 1 1 d . . . . .
H20 H 0.7620 0.5307 0.5088 0.113 Uiso 1 1 calc R U . . .
C19 C 0.9073(4) 0.3898(4) 0.4627(3) 0.1041(11) Uani 1 1 d . . . . .
H19 H 0.9770 0.4253 0.4435 0.125 Uiso 1 1 calc R U . . .
C38 C 0.9706(4) 0.5294(2) 0.1993(3) 0.0975(10) Uani 1 1 d . . . . .
H38 H 0.9078 0.5989 0.2044 0.117 Uiso 1 1 calc R U . . .
C26 C 0.3849(4) 0.0158(2) 0.1813(3) 0.0907(9) Uani 1 1 d . . . . .
H26 H 0.3691 -0.0325 0.1333 0.109 Uiso 1 1 calc R U . . .
C35 C 1.1558(3) 0.3283(3) 0.1895(2) 0.0995(10) Uani 1 1 d . . . . .
H35 H 1.2181 0.2589 0.1871 0.119 Uiso 1 1 calc R U . . .
C32 C 0.8343(3) 0.4488(3) 0.0991(2) 0.0924(9) Uani 1 1 d . . . . .
H32A H 0.7745 0.5237 0.1171 0.111 Uiso 1 1 calc R U . . .
H32B H 0.8679 0.4423 0.0228 0.111 Uiso 1 1 calc R U . . .
C37 C 1.0830(5) 0.5197(4) 0.2410(3) 0.1187(13) Uani 1 1 d . . . . .
H37 H 1.0954 0.5827 0.2732 0.142 Uiso 1 1 calc R U . . .
C25 C 0.3140(3) 0.0262(3) 0.2838(3) 0.0923(9) Uani 1 1 d . . . . .
H25 H 0.2503 -0.0151 0.3055 0.111 Uiso 1 1 calc R U . . .
C36 C 1.1736(4) 0.4203(4) 0.2351(3) 0.1109(12) Uani 1 1 d . . . . .
H36 H 1.2491 0.4146 0.2626 0.133 Uiso 1 1 calc R U . . .
C12 C -0.0695(3) 0.1752(3) 0.8945(3) 0.1190(13) Uani 1 1 d . . . . .
H12A H -0.0363 0.1686 0.9579 0.178 Uiso 1 1 calc R U . . .
H12B H -0.1510 0.1505 0.9064 0.178 Uiso 1 1 calc R U . . .
H12C H -0.0873 0.2528 0.8753 0.178 Uiso 1 1 calc R U . . .
C11 C -0.0166(4) 0.1152(5) 0.7061(4) 0.1533(18) Uani 1 1 d . . . . .
H11A H -0.0204 0.1903 0.6820 0.230 Uiso 1 1 calc R U . . .
H11B H -0.1049 0.1023 0.7198 0.230 Uiso 1 1 calc R U . . .
H11C H 0.0431 0.0610 0.6526 0.230 Uiso 1 1 calc R U . . .
C10 C 0.0802(4) -0.0162(3) 0.8334(4) 0.1416(17) Uani 1 1 d . . . . .
H10A H 0.1517 -0.0561 0.7768 0.212 Uiso 1 1 calc R U . . .
H10B H 0.0067 -0.0514 0.8438 0.212 Uiso 1 1 calc R U . . .
H10C H 0.1121 -0.0182 0.8973 0.212 Uiso 1 1 calc R 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'
N N 0.0061 0.0033 '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
C30 O3 C22 115.81(15) . . ?
C9 O4 C13 123.2(2) . . ?
C31 O1 C32 113.2(2) . . ?
C9 N1 C8 125.73(19) . . ?
C9 N1 C1 124.48(18) . . ?
C8 N1 C1 109.75(17) . . ?
C6 C5 C1 118.38(19) . . ?
C6 C5 C7 133.38(19) . . ?
C1 C5 C7 108.19(18) . . ?
C14 C21 C22 112.95(16) . . ?
C14 C21 H21A 109.0 . . ?
C22 C21 H21A 109.0 . . ?
C14 C21 H21B 109.0 . . ?
C22 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
O3 C22 C23 112.00(16) . . ?
O3 C22 C21 110.06(16) . . ?
C23 C22 C21 111.19(17) . . ?
O3 C22 H22 107.8 . . ?
C23 C22 H22 107.8 . . ?
C21 C22 H22 107.8 . . ?
C14 C7 C5 131.37(19) . . ?
C14 C7 C8 122.45(18) . . ?
C5 C7 C8 106.04(16) . . ?
C17 C16 C15 118.3(2) . . ?
C17 C16 C14 120.4(2) . . ?
C15 C16 C14 121.1(2) . . ?
C7 C14 C16 122.60(17) . . ?
C7 C14 C21 121.89(18) . . ?
C16 C14 C21 115.51(16) . . ?
C2 C1 C5 122.5(2) . . ?
C2 C1 N1 128.0(2) . . ?
C5 C1 N1 109.54(17) . . ?
C4 C6 C5 119.4(2) . . ?
C4 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C34 C33 C38 117.3(3) . . ?
C34 C33 C32 121.6(3) . . ?
C38 C33 C32 121.1(3) . . ?
C29 C30 O3 122.1(2) . . ?
C29 C30 C31 127.5(2) . . ?
O3 C30 C31 110.40(18) . . ?
C24 C23 C28 120.1(2) . . ?
C24 C23 C22 121.5(2) . . ?
C28 C23 C22 118.27(19) . . ?
O2 C8 N1 125.0(2) . . ?
O2 C8 C7 128.58(19) . . ?
N1 C8 C7 106.40(17) . . ?
C27 C28 C23 118.6(2) . . ?
C27 C28 C29 124.3(2) . . ?
C23 C28 C29 117.14(18) . . ?
O5 C9 O4 128.0(2) . . ?
O5 C9 N1 122.4(2) . . ?
O4 C9 N1 109.62(19) . . ?
C30 C29 C28 120.9(2) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C4 C3 C2 121.1(2) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C20 C15 C16 120.3(3) . . ?
C20 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C3 C2 C1 117.7(2) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C3 C4 C6 121.0(2) . . ?
C3 C4 H4 119.5 . . ?
C6 C4 H4 119.5 . . ?
C33 C34 C35 121.0(3) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
O1 C31 C30 109.19(19) . . ?
O1 C31 H31A 109.8 . . ?
C30 C31 H31A 109.8 . . ?
O1 C31 H31B 109.8 . . ?
C30 C31 H31B 109.8 . . ?
H31A C31 H31B 108.3 . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C27 C28 120.7(3) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
O4 C13 C10 109.8(3) . . ?
O4 C13 C11 100.2(2) . . ?
C10 C13 C11 113.7(3) . . ?
O4 C13 C12 109.4(2) . . ?
C10 C13 C12 113.5(3) . . ?
C11 C13 C12 109.4(3) . . ?
C19 C18 C17 120.8(3) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C19 C20 C15 120.4(3) . . ?
C19 C20 H20 119.8 . . ?
C15 C20 H20 119.8 . . ?
C18 C19 C20 120.0(3) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C33 C38 C37 120.7(3) . . ?
C33 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C25 C26 C27 120.4(3) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
O1 C32 C33 114.1(2) . . ?
O1 C32 H32A 108.7 . . ?
C33 C32 H32A 108.7 . . ?
O1 C32 H32B 108.7 . . ?
C33 C32 H32B 108.7 . . ?
H32A C32 H32B 107.6 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C37 C36 C35 120.1(4) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 C11 H11A 109.5 . . ?
C13 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C13 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C10 H10A 109.5 . . ?
C13 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C13 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
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
O3 C30 1.375(2) . ?
O3 C22 1.446(2) . ?
O2 C8 1.206(3) . ?
O4 C9 1.291(3) . ?
O4 C13 1.469(3) . ?
O1 C31 1.409(3) . ?
O1 C32 1.425(3) . ?
N1 C9 1.406(3) . ?
N1 C8 1.415(3) . ?
N1 C1 1.419(3) . ?
O5 C9 1.195(3) . ?
C5 C6 1.389(3) . ?
C5 C1 1.395(3) . ?
C5 C7 1.467(3) . ?
C21 C14 1.509(3) . ?
C21 C22 1.525(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.502(3) . ?
C22 H22 0.9800 . ?
C7 C14 1.359(3) . ?
C7 C8 1.493(3) . ?
C16 C17 1.374(3) . ?
C16 C15 1.383(3) . ?
C16 C14 1.479(3) . ?
C1 C2 1.385(3) . ?
C6 C4 1.385(3) . ?
C6 H6 0.9300 . ?
C33 C34 1.375(4) . ?
C33 C38 1.376(4) . ?
C33 C32 1.505(4) . ?
C30 C29 1.326(3) . ?
C30 C31 1.481(3) . ?
C23 C24 1.379(3) . ?
C23 C28 1.398(3) . ?
C28 C27 1.393(3) . ?
C28 C29 1.449(3) . ?
C29 H29 0.9300 . ?
C3 C4 1.373(4) . ?
C3 C2 1.378(4) . ?
C3 H3 0.9300 . ?
C17 C18 1.386(4) . ?
C17 H17 0.9300 . ?
C15 C20 1.380(4) . ?
C15 H15 0.9300 . ?
C2 H2 0.9300 . ?
C4 H4 0.9300 . ?
C34 C35 1.377(4) . ?
C34 H34 0.9300 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C24 C25 1.387(4) . ?
C24 H24 0.9300 . ?
C27 C26 1.374(4) . ?
C27 H27 0.9300 . ?
C13 C10 1.478(4) . ?
C13 C11 1.506(5) . ?
C13 C12 1.507(4) . ?
C18 C19 1.341(5) . ?
C18 H18 0.9300 . ?
C20 C19 1.358(5) . ?
C20 H20 0.9300 . ?
C19 H19 0.9300 . ?
C38 C37 1.389(5) . ?
C38 H38 0.9300 . ?
C26 C25 1.362(4) . ?
C26 H26 0.9300 . ?
C35 C36 1.347(5) . ?
C35 H35 0.9300 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C37 C36 1.336(6) . ?
C37 H37 0.9300 . ?
C25 H25 0.9300 . ?
C36 H36 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
