#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:56:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178674 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/85/4078512.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_4078512
loop_
_publ_author_name
'Li, Yang'
'Wang, Wen-Hua'
'He, Ke-Han'
'Shi, Zhang-Jie'
_publ_section_title
;
 Mechanistic Insight into the Regioselective Palladation of Indole
 Derivatives: Tetranuclear Indolyl Palladacycles with High C2--Pd or
 C3--Pd Bond Selectivity
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              4397
_journal_paper_doi               10.1021/om300284t
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C38 H52 Cl2 N2 O8 Pd4'
_chemical_formula_sum            'C38 H52 Cl2 N2 O8 Pd4'
_chemical_formula_weight         1161.32
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.257(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9773(11)
_cell_length_b                   27.127(2)
_cell_length_c                   15.4785(14)
_cell_measurement_reflns_used    3250
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.166
_cell_measurement_theta_min      2.165
_cell_volume                     4424.9(7)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.1232
_diffrn_reflns_av_sigmaI/netI    0.1545
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10309
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.769
_exptl_absorpt_correction_T_max  0.9315
_exptl_absorpt_correction_T_min  0.7616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.703
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         3810
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.1714
_refine_ls_R_factor_gt           0.0822
_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)+(0.1023P)²+154.2582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1874
_refine_ls_wR_factor_ref         0.2601
_reflns_number_gt                2136
_reflns_number_total             3906
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300284t_si_002.cif
_cod_data_source_block           13
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4078512
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
Pd1 Pd 0.37464(12) 0.28788(5) 0.26464(9) 0.0257(4) Uani 1 1 d . . .
Pd2 Pd 0.57370(12) 0.17777(5) 0.34541(8) 0.0246(4) Uani 1 1 d . . .
Cl1 Cl 0.2682(4) 0.23243(17) 0.1576(3) 0.0327(10) Uani 1 1 d . . .
N1 N 0.2910(14) 0.2220(5) 0.3857(10) 0.030(3) Uani 1 1 d . . .
O1 O 0.3580(13) 0.3419(5) 0.1666(9) 0.046(3) Uani 1 1 d . . .
O2 O 0.5482(12) 0.3387(5) 0.1394(9) 0.040(3) Uani 1 1 d . . .
O3 O 0.4466(13) 0.1262(5) 0.3566(8) 0.039(3) Uani 1 1 d . . .
O4 O 0.3375(13) 0.1237(5) 0.2145(9) 0.046(4) Uani 1 1 d . . .
C1 C 0.3347(18) 0.1957(7) 0.4694(12) 0.033(4) Uani 1 1 d . . .
C2 C 0.3874(16) 0.2406(6) 0.3619(11) 0.024(4) Uani 1 1 d . . .
C3 C 0.4991(16) 0.2277(6) 0.4243(11) 0.028(4) Uani 1 1 d . . .
H3 H 0.5802 0.2359 0.4217 0.034 Uiso 1 1 calc R . .
C4 C 0.4689(17) 0.1993(6) 0.4948(12) 0.030(4) Uani 1 1 d . . .
C5 C 0.5353(19) 0.1763(7) 0.5724(12) 0.038(5) Uani 1 1 d . . .
H5 H 0.6235 0.1769 0.5913 0.046 Uiso 1 1 calc R . .
C6 C 0.466(2) 0.1521(8) 0.6214(13) 0.043(5) Uani 1 1 d . . .
H6 H 0.5088 0.1361 0.6742 0.052 Uiso 1 1 calc R . .
C7 C 0.3316(19) 0.1507(7) 0.5946(13) 0.041(5) Uani 1 1 d . . .
H7 H 0.2890 0.1345 0.6304 0.049 Uiso 1 1 calc R . .
C8 C 0.2632(19) 0.1730(7) 0.5162(12) 0.038(5) Uani 1 1 d . . .
H8 H 0.1750 0.1726 0.4968 0.045 Uiso 1 1 calc R . .
C9 C 0.1552(16) 0.2248(7) 0.3375(12) 0.032(4) Uani 1 1 d . . .
H9A H 0.1436 0.2450 0.2849 0.048 Uiso 1 1 calc R . .
H9B H 0.1098 0.2389 0.3763 0.048 Uiso 1 1 calc R . .
H9C H 0.1234 0.1923 0.3199 0.048 Uiso 1 1 calc R . .
C10 C 0.4379(19) 0.3572(7) 0.1285(13) 0.036(5) Uani 1 1 d . A .
C11 C 0.407(2) 0.4008(7) 0.0672(14) 0.044(5) Uani 1 1 d . . .
C12 C 0.464(5) 0.4450(14) 0.120(3) 0.063(14) Uani 0.64(6) 1 d P A 1
H12A H 0.4708 0.4395 0.1825 0.094 Uiso 0.64(6) 1 calc PR A 1
H12B H 0.4106 0.4731 0.0989 0.094 Uiso 0.64(6) 1 calc PR A 1
H12C H 0.5466 0.4508 0.1127 0.094 Uiso 0.64(6) 1 calc PR A 1
C13 C 0.458(4) 0.3969(16) -0.018(3) 0.057(13) Uani 0.64(6) 1 d P A 1
H13A H 0.5464 0.4052 -0.0022 0.085 Uiso 0.64(6) 1 calc PR A 1
H13B H 0.4116 0.4193 -0.0638 0.085 Uiso 0.64(6) 1 calc PR A 1
H13C H 0.4463 0.3638 -0.0415 0.085 Uiso 0.64(6) 1 calc PR A 1
C14 C 0.257(4) 0.4094(16) 0.029(3) 0.053(12) Uani 0.64(6) 1 d P A 1
H14A H 0.2175 0.3798 0.0003 0.080 Uiso 0.64(6) 1 calc PR A 1
H14B H 0.2408 0.4359 -0.0136 0.080 Uiso 0.64(6) 1 calc PR A 1
H14C H 0.2227 0.4175 0.0780 0.080 Uiso 0.64(6) 1 calc PR A 1
C12' C 0.374(8) 0.375(3) -0.025(5) 0.06(2) Uani 0.36(6) 1 d P A 2
H12D H 0.4443 0.3559 -0.0297 0.092 Uiso 0.36(6) 1 calc PR A 2
H12E H 0.3537 0.3997 -0.0713 0.092 Uiso 0.36(6) 1 calc PR A 2
H12F H 0.3013 0.3543 -0.0303 0.092 Uiso 0.36(6) 1 calc PR A 2
C13' C 0.292(7) 0.427(3) 0.083(6) 0.06(2) Uani 0.36(6) 1 d P A 2
H13D H 0.2409 0.4039 0.1038 0.085 Uiso 0.36(6) 1 calc PR A 2
H13E H 0.2432 0.4418 0.0278 0.085 Uiso 0.36(6) 1 calc PR A 2
H13F H 0.3207 0.4524 0.1276 0.085 Uiso 0.36(6) 1 calc PR A 2
C14' C 0.520(7) 0.436(3) 0.079(6) 0.06(2) Uani 0.36(6) 1 d P A 2
H14D H 0.5566 0.4425 0.1416 0.084 Uiso 0.36(6) 1 calc PR A 2
H14E H 0.4907 0.4663 0.0478 0.084 Uiso 0.36(6) 1 calc PR A 2
H14F H 0.5819 0.4211 0.0541 0.084 Uiso 0.36(6) 1 calc PR A 2
C15 C 0.3678(19) 0.1078(7) 0.2924(13) 0.033(4) Uani 1 1 d . B .
C16 C 0.298(2) 0.0639(8) 0.3132(15) 0.051(6) Uani 1 1 d . . .
C17 C 0.250(10) 0.032(3) 0.224(5) 0.06(2) Uani 0.48(12) 1 d P B 1
H17A H 0.1926 0.0510 0.1780 0.093 Uiso 0.48(12) 1 calc PR B 1
H17B H 0.2073 0.0029 0.2362 0.093 Uiso 0.48(12) 1 calc PR B 1
H17C H 0.3216 0.0222 0.2035 0.093 Uiso 0.48(12) 1 calc PR B 1
C18 C 0.387(9) 0.037(3) 0.395(6) 0.06(2) Uani 0.48(12) 1 d P B 1
H18A H 0.4635 0.0276 0.3807 0.088 Uiso 0.48(12) 1 calc PR B 1
H18B H 0.3454 0.0082 0.4087 0.088 Uiso 0.48(12) 1 calc PR B 1
H18C H 0.4076 0.0588 0.4460 0.088 Uiso 0.48(12) 1 calc PR B 1
C19 C 0.182(7) 0.082(2) 0.338(6) 0.051(19) Uani 0.48(12) 1 d P B 1
H19A H 0.1965 0.0798 0.4021 0.077 Uiso 0.48(12) 1 calc PR B 1
H19B H 0.1102 0.0615 0.3090 0.077 Uiso 0.48(12) 1 calc PR B 1
H19C H 0.1643 0.1153 0.3188 0.077 Uiso 0.48(12) 1 calc PR B 1
C17' C 0.337(9) 0.049(3) 0.413(5) 0.06(2) Uani 0.52(12) 1 d P B 2
H17D H 0.4054 0.0702 0.4451 0.087 Uiso 0.52(12) 1 calc PR B 2
H17E H 0.3642 0.0157 0.4187 0.087 Uiso 0.52(12) 1 calc PR B 2
H17F H 0.2660 0.0534 0.4369 0.087 Uiso 0.52(12) 1 calc PR B 2
C18' C 0.161(6) 0.084(3) 0.286(7) 0.061(19) Uani 0.52(12) 1 d P B 2
H18D H 0.1178 0.0726 0.3286 0.092 Uiso 0.52(12) 1 calc PR B 2
H18E H 0.1169 0.0716 0.2271 0.092 Uiso 0.52(12) 1 calc PR B 2
H18F H 0.1622 0.1190 0.2852 0.092 Uiso 0.52(12) 1 calc PR B 2
C19' C 0.312(8) 0.021(3) 0.253(6) 0.058(18) Uani 0.52(12) 1 d P B 2
H19D H 0.3979 0.0094 0.2705 0.087 Uiso 0.52(12) 1 calc PR B 2
H19E H 0.2900 0.0317 0.1913 0.087 Uiso 0.52(12) 1 calc PR B 2
H19F H 0.2561 -0.0054 0.2587 0.087 Uiso 0.52(12) 1 calc PR B 2
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C2 Pd1 O2 87.5(6) . 2_655
C2 Pd1 O1 176.1(6) . .
O2 Pd1 O1 89.3(6) 2_655 .
C2 Pd1 Cl1 92.2(5) . .
O2 Pd1 Cl1 174.4(4) 2_655 .
O1 Pd1 Cl1 90.7(4) . .
C2 Pd1 Pd1 104.7(5) . 2_655
O2 Pd1 Pd1 84.0(3) 2_655 2_655
O1 Pd1 Pd1 77.3(4) . 2_655
Cl1 Pd1 Pd1 101.51(11) . 2_655
O3 Pd2 O4 88.3(6) . 2_655
O3 Pd2 C3 90.4(6) . .
O4 Pd2 C3 171.6(6) 2_655 .
O3 Pd2 Cl1 174.7(4) . 2_655
O4 Pd2 Cl1 89.7(4) 2_655 2_655
C3 Pd2 Cl1 90.8(4) . 2_655
O3 Pd2 Pd2 83.5(4) . 2_655
O4 Pd2 Pd2 75.6(4) 2_655 2_655
C3 Pd2 Pd2 112.5(5) . 2_655
Cl1 Pd2 Pd2 100.74(12) 2_655 2_655
Pd2 Cl1 Pd1 101.68(17) 2_655 .
C2 N1 C1 110.5(15) . .
C2 N1 C9 128.4(15) . .
C1 N1 C9 121.1(14) . .
C10 O1 Pd1 130.1(13) . .
C10 O2 Pd1 123.3(12) . 2_655
C15 O3 Pd2 124.1(11) . .
C15 O4 Pd2 129.7(12) . 2_655
C8 C1 C4 126.6(18) . .
C8 C1 N1 127.6(18) . .
C4 C1 N1 105.8(14) . .
N1 C2 C3 109.6(15) . .
N1 C2 Pd1 125.3(13) . .
C3 C2 Pd1 124.4(12) . .
C2 C3 C4 108.4(15) . .
C2 C3 Pd2 99.7(11) . .
C4 C3 Pd2 107.4(11) . .
C2 C3 H3 125.8 . .
C4 C3 H3 125.8 . .
Pd2 C3 H3 66.5 . .
C5 C4 C1 117.9(17) . .
C5 C4 C3 136.5(17) . .
C1 C4 C3 105.6(15) . .
C4 C5 C6 117.2(18) . .
C4 C5 H5 121.4 . .
C6 C5 H5 121.4 . .
C5 C6 C7 122.8(19) . .
C5 C6 H6 118.6 . .
C7 C6 H6 118.6 . .
C8 C7 C6 120.9(18) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C1 C8 C7 114.6(18) . .
C1 C8 H8 122.7 . .
C7 C8 H8 122.7 . .
N1 C9 H9A 109.5 . .
N1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O1 C10 O2 124.6(18) . .
O1 C10 C11 119.8(17) . .
O2 C10 C11 115.6(17) . .
C12 C11 C10 108(2) . .
C12 C11 C13' 77(4) . .
C10 C11 C13' 109(3) . .
C12 C11 C14' 40(3) . .
C10 C11 C14' 113(3) . .
C13' C11 C14' 111(4) . .
C12 C11 C12' 146(3) . .
C10 C11 C12' 101(3) . .
C13' C11 C12' 111(4) . .
C14' C11 C12' 112(4) . .
C12 C11 C13 109(3) . .
C10 C11 C13 114(2) . .
C13' C11 C13 132(4) . .
C14' C11 C13 71(3) . .
C12' C11 C13 41(3) . .
C12 C11 C14 108(3) . .
C10 C11 C14 112(2) . .
C13' C11 C14 35(3) . .
C14' C11 C14 132(3) . .
C12' C11 C14 77(3) . .
C13 C11 C14 106(3) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
C11 C12' H12D 109.5 . .
C11 C12' H12E 109.5 . .
H12D C12' H12E 109.5 . .
C11 C12' H12F 109.5 . .
H12D C12' H12F 109.5 . .
H12E C12' H12F 109.5 . .
C11 C13' H13D 109.5 . .
C11 C13' H13E 109.5 . .
H13D C13' H13E 109.5 . .
C11 C13' H13F 109.5 . .
H13D C13' H13F 109.5 . .
H13E C13' H13F 109.5 . .
C11 C14' H14D 109.5 . .
C11 C14' H14E 109.5 . .
H14D C14' H14E 109.5 . .
C11 C14' H14F 109.5 . .
H14D C14' H14F 109.5 . .
H14E C14' H14F 109.5 . .
O3 C15 O4 125.9(17) . .
O3 C15 C16 115.9(17) . .
O4 C15 C16 118.1(18) . .
C15 C16 C19 109(3) . .
C15 C16 C19' 109(3) . .
C19 C16 C19' 130(4) . .
C15 C16 C17' 114(3) . .
C19 C16 C17' 81(3) . .
C19' C16 C17' 112(4) . .
C15 C16 C18' 101(3) . .
C19 C16 C18' 29(2) . .
C19' C16 C18' 111(3) . .
C17' C16 C18' 110(3) . .
C15 C16 C18 108(3) . .
C19 C16 C18 109(3) . .
C19' C16 C18 90(4) . .
C17' C16 C18 29(3) . .
C18' C16 C18 137(4) . .
C15 C16 C17 108(3) . .
C19 C16 C17 108(4) . .
C19' C16 C17 28(3) . .
C17' C16 C17 132(4) . .
C18' C16 C17 84(4) . .
C18 C16 C17 116(4) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
C16 C17' H17D 109.5 . .
C16 C17' H17E 109.5 . .
H17D C17' H17E 109.5 . .
C16 C17' H17F 109.5 . .
H17D C17' H17F 109.5 . .
H17E C17' H17F 109.5 . .
C16 C18' H18D 109.5 . .
C16 C18' H18E 109.5 . .
H18D C18' H18E 109.5 . .
C16 C18' H18F 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
C16 C19' H19D 109.5 . .
C16 C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C16 C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C2 1.953(16) .
Pd1 O2 2.030(13) 2_655
Pd1 O1 2.080(13) .
Pd1 Cl1 2.300(5) .
Pd1 Pd1 2.912(2) 2_655
Pd2 O3 2.018(12) .
Pd2 O4 2.114(12) 2_655
Pd2 C3 2.136(17) .
Pd2 Cl1 2.293(5) 2_655
Pd2 Pd2 2.944(3) 2_655
Cl1 Pd2 2.293(4) 2_655
N1 C2 1.31(2) .
N1 C1 1.44(2) .
N1 C9 1.47(2) .
O1 C10 1.26(2) .
O2 C10 1.28(2) .
O2 Pd1 2.030(13) 2_655
O3 C15 1.23(2) .
O4 C15 1.24(2) .
O4 Pd2 2.114(12) 2_655
C1 C8 1.35(2) .
C1 C4 1.42(2) .
C2 C3 1.38(2) .
C3 C4 1.45(2) .
C3 H3 0.9300 .
C4 C5 1.37(3) .
C5 C6 1.38(3) .
C5 H5 0.9300 .
C6 C7 1.41(3) .
C6 H6 0.9300 .
C7 C8 1.38(3) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.49(3) .
C11 C12 1.48(4) .
C11 C13' 1.53(7) .
C11 C14' 1.53(7) .
C11 C12' 1.53(7) .
C11 C13 1.58(4) .
C11 C14 1.61(4) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C12' H12D 0.9600 .
C12' H12E 0.9600 .
C12' H12F 0.9600 .
C13' H13D 0.9600 .
C13' H13E 0.9600 .
C13' H13F 0.9600 .
C14' H14D 0.9600 .
C14' H14E 0.9600 .
C14' H14F 0.9600 .
C15 C16 1.50(3) .
C16 C19 1.51(7) .
C16 C19' 1.53(7) .
C16 C17' 1.53(8) .
C16 C18' 1.54(7) .
C16 C18 1.55(9) .
C16 C17 1.59(8) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C17' H17D 0.9600 .
C17' H17E 0.9600 .
C17' H17F 0.9600 .
C18' H18D 0.9600 .
C18' H18E 0.9600 .
C18' H18F 0.9600 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
