#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:12:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179471 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/68/4336881.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_4336881
loop_
_publ_author_name
'Todd J. J. Whitehorne'
'Frank Schaper'
_publ_section_title
;
 Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13612
_journal_page_last               13622
_journal_paper_doi               10.1021/ic402133c
_journal_volume                  52
_journal_year                    2013
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C38 H42 Cu N4'
_chemical_formula_sum            'C38 H42 Cu N4'
_chemical_formula_weight         618.29
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                93.248(3)
_cell_angle_beta                 103.821(3)
_cell_angle_gamma                92.335(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5454(6)
_cell_length_b                   11.3169(7)
_cell_length_c                   15.0776(10)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    100
_cell_measurement_theta_max      69.24
_cell_measurement_theta_min      3.03
_cell_volume                     1576.57(18)
_computing_cell_refinement       'SAINT V7.68A(Bruker AXS, 2009)'
_computing_data_collection       'APEX2  (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A(Bruker AXS, 2009)'
_computing_molecular_graphics    'SHELXTL  (Bruker AXS, 2003)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Quazar MX'
_diffrn_radiation_source         'Incoatec I\muS Microsource '
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            35571
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.646
_diffrn_reflns_theta_min         3.025
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.5985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 2008)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_description       block
_exptl_crystal_F_000             654
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         5844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0580P)²+1.0037P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1022
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5613
_reflns_number_total             5844
_cod_data_source_file            ic402133c_si_002_4.cif
_cod_data_source_block           TODD44
_cod_database_code               4336881
#BEGIN Tags that were not found in dictionaries:
_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.
;
#END Tags that were not found in dictionaries
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
Cu1 Cu 0.61998(2) 0.65803(2) 0.73633(2) 0.01587(10) Uani 1 1 d . .
N1 N 0.48033(15) 0.59187(12) 0.79840(9) 0.0174(3) Uani 1 1 d . .
N2 N 0.69163(15) 0.79166(12) 0.82834(10) 0.0180(3) Uani 1 1 d . .
N3 N 0.51382(14) 0.66281(12) 0.60712(9) 0.0162(3) Uani 1 1 d . .
N4 N 0.79833(15) 0.60728(12) 0.70894(10) 0.0177(3) Uani 1 1 d . .
C1 C 0.37555(18) 0.49752(14) 0.74999(11) 0.0187(3) Uani 1 1 d . .
H1A H 0.3692 0.4996 0.6849 0.022 Uiso 1 1 calc R U
H1B H 0.2815 0.5148 0.7597 0.022 Uiso 1 1 calc R U
C2 C 0.40772(18) 0.37261(15) 0.77732(11) 0.0180(3) Uani 1 1 d . .
C3 C 0.29367(19) 0.28695(15) 0.76066(12) 0.0226(4) Uani 1 1 d . .
H3 H 0.1997 0.3089 0.7379 0.027 Uiso 1 1 calc R U
C4 C 0.3184(2) 0.16974(16) 0.77748(13) 0.0274(4) Uani 1 1 d . .
H4 H 0.2414 0.1134 0.7655 0.033 Uiso 1 1 calc R U
C5 C 0.4581(2) 0.13627(16) 0.81226(13) 0.0272(4) Uani 1 1 d . .
H5 H 0.4751 0.0575 0.8233 0.033 Uiso 1 1 calc R U
C6 C 0.5721(2) 0.22087(17) 0.83041(13) 0.0256(4) Uani 1 1 d . .
H6 H 0.6657 0.1988 0.8544 0.031 Uiso 1 1 calc R U
C7 C 0.54736(19) 0.33886(15) 0.81292(12) 0.0212(3) Uani 1 1 d . .
H7 H 0.6245 0.3951 0.8251 0.025 Uiso 1 1 calc R U
C8 C 0.47578(17) 0.62758(14) 0.88327(11) 0.0177(3) Uani 1 1 d . .
C9 C 0.56260(18) 0.72182(15) 0.93553(11) 0.0195(3) Uani 1 1 d . .
H9 H 0.5587 0.7312 0.9966 0.023 Uiso 1 1 calc R U
C10 C 0.65501(18) 0.80410(14) 0.90731(12) 0.0188(3) Uani 1 1 d . .
C11 C 0.7058(2) 0.91281(16) 0.97319(13) 0.0250(4) Uani 1 1 d . .
H11A H 0.8051 0.9338 0.9754 0.038 Uiso 1 1 calc R U
H11B H 0.6967 0.8955 1.0332 0.038 Uiso 1 1 calc R U
H11C H 0.6477 0.9777 0.9525 0.038 Uiso 1 1 calc R U
C12 C 0.77164(18) 0.88856(15) 0.79735(12) 0.0210(3) Uani 1 1 d . .
H12A H 0.7612 0.9614 0.8317 0.025 Uiso 1 1 calc R U
H12B H 0.7269 0.8980 0.7334 0.025 Uiso 1 1 calc R U
C13 C 0.93146(18) 0.87296(14) 0.80681(12) 0.0186(3) Uani 1 1 d . .
C14 C 1.02608(19) 0.84967(15) 0.88922(12) 0.0218(4) Uani 1 1 d . .
H14 H 0.9913 0.8426 0.9414 0.026 Uiso 1 1 calc R U
C15 C 1.1717(2) 0.83695(15) 0.89397(14) 0.0269(4) Uani 1 1 d . .
H15 H 1.2333 0.8202 0.9491 0.032 Uiso 1 1 calc R U
C16 C 1.2261(2) 0.84900(16) 0.81753(15) 0.0299(4) Uani 1 1 d . .
H16 H 1.3237 0.8407 0.8211 0.036 Uiso 1 1 calc R U
C17 C 1.1339(2) 0.87356(16) 0.73585(14) 0.0295(4) Uani 1 1 d . .
H17 H 1.1697 0.8829 0.6843 0.035 Uiso 1 1 calc R U
C18 C 0.9879(2) 0.88431(15) 0.73066(12) 0.0236(4) Uani 1 1 d . .
H18 H 0.9266 0.8994 0.6751 0.028 Uiso 1 1 calc R U
C19 C 0.36604(19) 0.56947(15) 0.92708(12) 0.0222(4) Uani 1 1 d . .
H19A H 0.2705 0.5871 0.8949 0.033 Uiso 1 1 calc R U
H19B H 0.3833 0.5992 0.9899 0.033 Uiso 1 1 calc R U
H19C H 0.3747 0.4852 0.9243 0.033 Uiso 1 1 calc R U
C20 C 0.35885(17) 0.68436(15) 0.58674(12) 0.0186(3) Uani 1 1 d . .
H20A H 0.3235 0.6700 0.6406 0.022 Uiso 1 1 calc R U
H20B H 0.3083 0.6273 0.5380 0.022 Uiso 1 1 calc R U
C21 C 0.32099(18) 0.80773(15) 0.55844(11) 0.0184(3) Uani 1 1 d . .
C22 C 0.18977(19) 0.82365(16) 0.49673(12) 0.0233(4) Uani 1 1 d . .
H22 H 0.1289 0.7581 0.4707 0.028 Uiso 1 1 calc R U
C23 C 0.1494(2) 0.93674(18) 0.47381(13) 0.0295(4) Uani 1 1 d . .
H23 H 0.0615 0.9465 0.4328 0.035 Uiso 1 1 calc R U
C24 C 0.2393(2) 1.03480(17) 0.51173(14) 0.0310(4) Uani 1 1 d . .
H24 H 0.2122 1.1104 0.4963 0.037 Uiso 1 1 calc R U
C25 C 0.3697(2) 1.01974(17) 0.57272(14) 0.0288(4) Uani 1 1 d . .
H25 H 0.4305 1.0855 0.5983 0.035 Uiso 1 1 calc R U
C26 C 0.41022(19) 0.90716(16) 0.59596(13) 0.0234(4) Uani 1 1 d . .
H26 H 0.4981 0.8981 0.6371 0.028 Uiso 1 1 calc R U
C27 C 0.57607(18) 0.65210(14) 0.53746(11) 0.0171(3) Uani 1 1 d . .
C28 C 0.72291(18) 0.62977(14) 0.54744(11) 0.0184(3) Uani 1 1 d . .
H28 H 0.7555 0.6298 0.4940 0.022 Uiso 1 1 calc R U
C29 C 0.82704(18) 0.60742(14) 0.62715(12) 0.0179(3) Uani 1 1 d . .
C30 C 0.91233(18) 0.58133(15) 0.78807(12) 0.0197(3) Uani 1 1 d . .
H30A H 0.8918 0.6194 0.8425 0.024 Uiso 1 1 calc R U
H30B H 1.0030 0.6171 0.7813 0.024 Uiso 1 1 calc R U
C31 C 0.93280(17) 0.45079(15) 0.80361(12) 0.0181(3) Uani 1 1 d . .
C32 C 0.87198(18) 0.35847(15) 0.73930(12) 0.0208(3) Uani 1 1 d . .
H32 H 0.8136 0.3752 0.6831 0.025 Uiso 1 1 calc R U
C33 C 0.89785(19) 0.24099(15) 0.75844(13) 0.0234(4) Uani 1 1 d . .
H33 H 0.8562 0.1800 0.7151 0.028 Uiso 1 1 calc R U
C34 C 0.98501(19) 0.21481(16) 0.84141(13) 0.0247(4) Uani 1 1 d . .
H34 H 1.0026 0.1365 0.8538 0.030 Uiso 1 1 calc R U
C35 C 1.04618(19) 0.30631(16) 0.90607(12) 0.0244(4) Uani 1 1 d . .
H35 H 1.1053 0.2893 0.9619 0.029 Uiso 1 1 calc R U
C36 C 1.01922(18) 0.42266(15) 0.88751(12) 0.0203(3) Uani 1 1 d . .
H36 H 1.0593 0.4832 0.9317 0.024 Uiso 1 1 calc R U
C37 C 0.97664(19) 0.58377(16) 0.61534(13) 0.0238(4) Uani 1 1 d . .
H37A H 1.0444 0.6449 0.6490 0.036 Uiso 1 1 calc R U
H37B H 0.9765 0.5831 0.5516 0.036 Uiso 1 1 calc R U
H37C H 1.0039 0.5083 0.6379 0.036 Uiso 1 1 calc R U
C38 C 0.48920(19) 0.66099(15) 0.44040(11) 0.0205(3) Uani 1 1 d . .
H38A H 0.4271 0.5907 0.4211 0.031 Uiso 1 1 calc R U
H38B H 0.5536 0.6689 0.4007 0.031 Uiso 1 1 calc R U
H38C H 0.4317 0.7290 0.4377 0.031 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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_publ_flag
N4 CU1 N1 135.41(6) y
N4 CU1 N3 95.21(6) y
N1 CU1 N3 105.36(6) y
N4 CU1 N2 101.74(6) y
N1 CU1 N2 95.58(6) y
N3 CU1 N2 128.65(6) y
C8 N1 C1 117.96(14) y
C8 N1 CU1 123.24(11) y
C1 N1 CU1 118.80(10) y
C10 N2 C12 120.45(14) y
C10 N2 CU1 123.80(11) y
C12 N2 CU1 115.07(11) y
C27 N3 C20 117.93(14) y
C27 N3 CU1 123.43(11) y
C20 N3 CU1 118.58(10) y
C29 N4 C30 119.29(14) y
C29 N4 CU1 124.73(11) y
C30 N4 CU1 115.56(11) y
N1 C1 C2 116.01(13) y
N1 C1 H1A 108.3 ?
C2 C1 H1A 108.3 ?
N1 C1 H1B 108.3 ?
C2 C1 H1B 108.3 ?
H1A C1 H1B 107.4 ?
C7 C2 C3 118.89(16) y
C7 C2 C1 122.48(15) y
C3 C2 C1 118.51(15) y
C4 C3 C2 120.90(17) y
C4 C3 H3 119.6 ?
C2 C3 H3 119.6 ?
C3 C4 C5 120.02(17) y
C3 C4 H4 120.0 ?
C5 C4 H4 120.0 ?
C6 C5 C4 119.63(17) y
C6 C5 H5 120.2 ?
C4 C5 H5 120.2 ?
C5 C6 C7 120.39(17) y
C5 C6 H6 119.8 ?
C7 C6 H6 119.8 ?
C2 C7 C6 120.17(16) y
C2 C7 H7 119.9 ?
C6 C7 H7 119.9 ?
N1 C8 C9 124.27(15) y
N1 C8 C19 119.79(15) y
C9 C8 C19 115.86(15) y
C8 C9 C10 128.21(16) y
C8 C9 H9 115.9 ?
C10 C9 H9 115.9 ?
N2 C10 C9 123.32(15) y
N2 C10 C11 121.66(15) y
C9 C10 C11 114.97(15) y
C10 C11 H11A 109.5 ?
C10 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
C10 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
N2 C12 C13 115.85(13) y
N2 C12 H12A 108.3 ?
C13 C12 H12A 108.3 ?
N2 C12 H12B 108.3 ?
C13 C12 H12B 108.3 ?
H12A C12 H12B 107.4 ?
C18 C13 C14 118.00(16) y
C18 C13 C12 118.92(15) y
C14 C13 C12 123.08(15) y
C15 C14 C13 120.56(17) y
C15 C14 H14 119.7 ?
C13 C14 H14 119.7 ?
C16 C15 C14 120.62(18) y
C16 C15 H15 119.7 ?
C14 C15 H15 119.7 ?
C17 C16 C15 119.38(17) y
C17 C16 H16 120.3 ?
C15 C16 H16 120.3 ?
C16 C17 C18 120.03(18) y
C16 C17 H17 120.0 ?
C18 C17 H17 120.0 ?
C17 C18 C13 121.39(17) y
C17 C18 H18 119.3 ?
C13 C18 H18 119.3 ?
C8 C19 H19A 109.5 ?
C8 C19 H19B 109.5 ?
H19A C19 H19B 109.5 ?
C8 C19 H19C 109.5 ?
H19A C19 H19C 109.5 ?
H19B C19 H19C 109.5 ?
N3 C20 C21 115.14(13) y
N3 C20 H20A 108.5 ?
C21 C20 H20A 108.5 ?
N3 C20 H20B 108.5 ?
C21 C20 H20B 108.5 ?
H20A C20 H20B 107.5 ?
C26 C21 C22 118.56(16) y
C26 C21 C20 121.74(15) y
C22 C21 C20 119.61(15) y
C23 C22 C21 120.51(17) y
C23 C22 H22 119.7 ?
C21 C22 H22 119.7 ?
C24 C23 C22 120.26(18) y
C24 C23 H23 119.9 ?
C22 C23 H23 119.9 ?
C23 C24 C25 119.58(17) y
C23 C24 H24 120.2 ?
C25 C24 H24 120.2 ?
C24 C25 C26 120.36(18) y
C24 C25 H25 119.8 ?
C26 C25 H25 119.8 ?
C25 C26 C21 120.73(17) y
C25 C26 H26 119.6 ?
C21 C26 H26 119.6 ?
N3 C27 C28 123.63(15) y
N3 C27 C38 120.62(15) y
C28 C27 C38 115.74(14) y
C29 C28 C27 128.87(15) y
C29 C28 H28 115.6 ?
C27 C28 H28 115.6 ?
N4 C29 C28 122.81(15) y
N4 C29 C37 120.79(15) y
C28 C29 C37 116.39(15) y
N4 C30 C31 116.15(14) y
N4 C30 H30A 108.2 ?
C31 C30 H30A 108.2 ?
N4 C30 H30B 108.2 ?
C31 C30 H30B 108.2 ?
H30A C30 H30B 107.4 ?
C32 C31 C36 118.31(15) y
C32 C31 C30 124.09(15) y
C36 C31 C30 117.60(15) y
C31 C32 C33 120.52(16) y
C31 C32 H32 119.7 ?
C33 C32 H32 119.7 ?
C34 C33 C32 120.42(17) y
C34 C33 H33 119.8 ?
C32 C33 H33 119.8 ?
C33 C34 C35 119.51(16) y
C33 C34 H34 120.2 ?
C35 C34 H34 120.2 ?
C36 C35 C34 120.08(16) y
C36 C35 H35 120.0 ?
C34 C35 H35 120.0 ?
C35 C36 C31 121.16(16) y
C35 C36 H36 119.4 ?
C31 C36 H36 119.4 ?
C29 C37 H37A 109.5 ?
C29 C37 H37B 109.5 ?
H37A C37 H37B 109.5 ?
C29 C37 H37C 109.5 ?
H37A C37 H37C 109.5 ?
H37B C37 H37C 109.5 ?
C27 C38 H38A 109.5 ?
C27 C38 H38B 109.5 ?
H38A C38 H38B 109.5 ?
C27 C38 H38C 109.5 ?
H38A C38 H38C 109.5 ?
H38B C38 H38C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N4 1.9462(14) y
Cu1 N1 1.9512(14) y
Cu1 N3 1.9744(14) y
Cu1 N2 1.9759(14) y
N1 C8 1.331(2) y
N1 C1 1.466(2) y
N2 C10 1.320(2) y
N2 C12 1.471(2) y
N3 C27 1.327(2) y
N3 C20 1.471(2) y
N4 C29 1.326(2) y
N4 C30 1.463(2) y
C1 C2 1.518(2) y
C1 H1a 0.9700 ?
C1 H1b 0.9700 ?
C2 C7 1.391(2) y
C2 C3 1.394(2) y
C3 C4 1.384(3) y
C3 H3 0.9300 ?
C4 C5 1.388(3) y
C4 H4 0.9300 ?
C5 C6 1.385(3) y
C5 H5 0.9300 ?
C6 C7 1.394(3) y
C6 H6 0.9300 ?
C7 H7 0.9300 ?
C8 C9 1.402(2) y
C8 C19 1.513(2) y
C9 C10 1.408(2) y
C9 H9 0.9300 ?
C10 C11 1.523(2) y
C11 H11a 0.9600 ?
C11 H11b 0.9600 ?
C11 H11c 0.9600 ?
C12 C13 1.516(2) y
C12 H12a 0.9700 ?
C12 H12b 0.9700 ?
C13 C18 1.390(2) y
C13 C14 1.396(2) y
C14 C15 1.388(3) y
C14 H14 0.9300 ?
C15 C16 1.384(3) y
C15 H15 0.9300 ?
C16 C17 1.382(3) y
C16 H16 0.9300 ?
C17 C18 1.387(3) y
C17 H17 0.9300 ?
C18 H18 0.9300 ?
C19 H19a 0.9600 ?
C19 H19b 0.9600 ?
C19 H19c 0.9600 ?
C20 C21 1.516(2) y
C20 H20a 0.9700 ?
C20 H20b 0.9700 ?
C21 C26 1.390(2) y
C21 C22 1.396(2) y
C22 C23 1.390(3) y
C22 H22 0.9300 ?
C23 C24 1.382(3) y
C23 H23 0.9300 ?
C24 C25 1.383(3) y
C24 H24 0.9300 ?
C25 C26 1.386(3) y
C25 H25 0.9300 ?
C26 H26 0.9300 ?
C27 C28 1.408(2) y
C27 C38 1.511(2) y
C28 C29 1.407(2) y
C28 H28 0.9300 ?
C29 C37 1.513(2) y
C30 C31 1.522(2) y
C30 H30a 0.9700 ?
C30 H30b 0.9700 ?
C31 C32 1.391(2) y
C31 C36 1.397(2) y
C32 C33 1.396(2) y
C32 H32 0.9300 ?
C33 C34 1.382(3) y
C33 H33 0.9300 ?
C34 C35 1.389(3) y
C34 H34 0.9300 ?
C35 C36 1.383(3) y
C35 H35 0.9300 ?
C36 H36 0.9300 ?
C37 H37a 0.9600 ?
C37 H37b 0.9600 ?
C37 H37c 0.9600 ?
C38 H38a 0.9600 ?
C38 H38b 0.9600 ?
C38 H38c 0.9600 ?
