#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/21/1502164.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_1502164
loop_
_publ_author_name
'White, James D.'
'Shaw, Subrata'
_publ_section_title
;
 cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric
 catalysis via salen-metal complexes.
;
_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              2488
_journal_page_last               2491
_journal_paper_doi               10.1021/ol2007378
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C38.5 H56 Cu N2 O2.5'
_chemical_formula_weight         650.39
_chemical_name_systematic
;

 ?

;
_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           SHELXLTL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.751(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.953(2)
_cell_length_b                   20.663(3)
_cell_length_c                   11.0738(16)
_cell_measurement_reflns_used    3600
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.53
_cell_measurement_theta_min      2.19
_cell_volume                     3694.5(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector Bruker Apex'
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20495
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.9754
_exptl_absorpt_correction_T_min  0.7533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.317
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         4029
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0645P)²+1.9605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1211
_reflns_number_gt                3417
_reflns_number_total             4029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol2007378_si_004.cif
_cod_data_source_block           jw32
_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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C38.50 H56 Cu N2 O2.50'
_cod_database_code               1502164
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
Cu1 Cu 0.0000 0.494375(17) 0.2500 0.01970(13) Uani 1 2 d S . .
O1 O 0.06982(10) 0.42718(7) 0.22390(16) 0.0278(4) Uani 1 1 d . . .
N1 N 0.03679(11) 0.55647(8) 0.14417(16) 0.0200(4) Uani 1 1 d . . .
C1 C 0.09420(13) 0.54283(11) 0.0938(2) 0.0226(5) Uani 1 1 d . . .
H1A H 0.1050 0.5752 0.0400 0.027 Uiso 1 1 calc R . .
C2 C 0.14387(14) 0.48541(10) 0.1082(2) 0.0222(5) Uani 1 1 d . . .
C3 C 0.13131(13) 0.43050(11) 0.1759(2) 0.0223(5) Uani 1 1 d . . .
C4 C 0.18794(14) 0.37723(11) 0.1898(2) 0.0230(5) Uani 1 1 d . . .
C5 C 0.25231(14) 0.38378(11) 0.1385(2) 0.0258(5) Uani 1 1 d . . .
H5A H 0.2907 0.3491 0.1505 0.031 Uiso 1 1 calc R . .
C6 C 0.26525(14) 0.43803(11) 0.0697(2) 0.0255(5) Uani 1 1 d . A .
C7 C 0.20978(14) 0.48783(11) 0.0551(2) 0.0258(5) Uani 1 1 d . . .
H7A H 0.2158 0.5250 0.0080 0.031 Uiso 1 1 calc R . .
C8 C 0.17607(15) 0.31520(11) 0.2589(2) 0.0272(5) Uani 1 1 d . . .
C9 C 0.24514(16) 0.26589(12) 0.2682(3) 0.0380(6) Uani 1 1 d . . .
H9A H 0.2987 0.2851 0.3144 0.057 Uiso 1 1 calc R . .
H9B H 0.2453 0.2536 0.1828 0.057 Uiso 1 1 calc R . .
H9C H 0.2356 0.2274 0.3135 0.057 Uiso 1 1 calc R . .
C10 C 0.09344(15) 0.28333(12) 0.1868(2) 0.0328(6) Uani 1 1 d . . .
H10A H 0.0930 0.2734 0.1000 0.049 Uiso 1 1 calc R . .
H10B H 0.0479 0.3130 0.1843 0.049 Uiso 1 1 calc R . .
H10C H 0.0867 0.2433 0.2299 0.049 Uiso 1 1 calc R . .
C11 C 0.17656(18) 0.33064(13) 0.3952(2) 0.0382(6) Uani 1 1 d . . .
H11A H 0.2294 0.3508 0.4416 0.057 Uiso 1 1 calc R . .
H11B H 0.1695 0.2905 0.4379 0.057 Uiso 1 1 calc R . .
H11C H 0.1311 0.3604 0.3927 0.057 Uiso 1 1 calc R . .
C12 C 0.33714(15) 0.43980(13) 0.0128(3) 0.0350(6) Uani 1 1 d D . .
C13 C 0.3398(3) 0.5016(2) -0.0593(5) 0.0520(11) Uani 0.731(3) 1 d PD A 1
H13A H 0.3045 0.4969 -0.1472 0.078 Uiso 0.731(3) 1 calc PR A 1
H13B H 0.3969 0.5101 -0.0581 0.078 Uiso 0.731(3) 1 calc PR A 1
H13C H 0.3198 0.5377 -0.0193 0.078 Uiso 0.731(3) 1 calc PR A 1
C14 C 0.4176(2) 0.4303(3) 0.1170(5) 0.0589(12) Uani 0.731(3) 1 d PD A 1
H14A H 0.4264 0.3840 0.1356 0.088 Uiso 0.731(3) 1 calc PR A 1
H14B H 0.4153 0.4532 0.1934 0.088 Uiso 0.731(3) 1 calc PR A 1
H14C H 0.4633 0.4474 0.0898 0.088 Uiso 0.731(3) 1 calc PR A 1
C15 C 0.3246(3) 0.3829(3) -0.0839(5) 0.0683(15) Uani 0.731(3) 1 d PD A 1
H15A H 0.2790 0.3553 -0.0773 0.102 Uiso 0.731(3) 1 calc PR A 1
H15B H 0.3755 0.3572 -0.0650 0.102 Uiso 0.731(3) 1 calc PR A 1
H15C H 0.3113 0.4003 -0.1701 0.102 Uiso 0.731(3) 1 calc PR A 1
C13A C 0.3991(7) 0.3855(6) 0.0582(13) 0.0520(11) Uani 0.269(3) 1 d PD A 2
H13D H 0.3724 0.3440 0.0277 0.078 Uiso 0.269(3) 1 calc PR A 2
H13E H 0.4189 0.3853 0.1511 0.078 Uiso 0.269(3) 1 calc PR A 2
H13F H 0.4459 0.3920 0.0252 0.078 Uiso 0.269(3) 1 calc PR A 2
C14A C 0.3037(6) 0.4443(7) -0.1256(10) 0.0589(12) Uani 0.269(3) 1 d PD A 2
H14D H 0.2723 0.4049 -0.1588 0.088 Uiso 0.269(3) 1 calc PR A 2
H14E H 0.3493 0.4489 -0.1619 0.088 Uiso 0.269(3) 1 calc PR A 2
H14F H 0.2670 0.4820 -0.1484 0.088 Uiso 0.269(3) 1 calc PR A 2
C15A C 0.3885(9) 0.5047(6) 0.0686(15) 0.0683(15) Uani 0.269(3) 1 d PD A 2
H15D H 0.3670 0.5235 0.1335 0.102 Uiso 0.269(3) 1 calc PR A 2
H15E H 0.3824 0.5359 -0.0001 0.102 Uiso 0.269(3) 1 calc PR A 2
H15F H 0.4471 0.4939 0.1064 0.102 Uiso 0.269(3) 1 calc PR A 2
C16 C 0.00938(13) 0.62494(10) 0.1276(2) 0.0221(5) Uani 1 1 d . . .
H16A H 0.0103 0.6404 0.0424 0.027 Uiso 1 1 calc R . .
C17 C 0.07125(13) 0.66509(11) 0.2311(2) 0.0244(5) Uani 1 1 d . . .
H17A H 0.1267 0.6651 0.2169 0.029 Uiso 1 1 calc R . .
C18 C 0.03880(15) 0.73436(11) 0.2267(3) 0.0326(6) Uani 1 1 d . . .
H18A H 0.0241 0.7512 0.1389 0.039 Uiso 1 1 calc R . .
H18B H 0.0822 0.7627 0.2817 0.039 Uiso 1 1 calc R . .
C19 C 0.07805(13) 0.63540(11) 0.3606(2) 0.0241(5) Uani 1 1 d . . .
H19A H 0.1101 0.6646 0.4289 0.029 Uiso 1 1 calc R . .
H19B H 0.1076 0.5935 0.3698 0.029 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'
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'
Cu Cu 0.3201 1.2651 '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
O1 Cu1 O1 86.28(9) . 2
O1 Cu1 N1 153.26(8) . 2
O1 Cu1 N1 93.48(7) 2 2
O1 Cu1 N1 93.48(7) . .
O1 Cu1 N1 153.26(8) 2 .
N1 Cu1 N1 98.38(10) 2 .
C3 O1 Cu1 129.27(14) . .
C1 N1 C16 113.81(18) . .
C1 N1 Cu1 122.23(15) . .
C16 N1 Cu1 123.56(13) . .
N1 C1 C2 128.8(2) . .
N1 C1 H1A 115.6 . .
C2 C1 H1A 115.6 . .
C3 C2 C7 121.1(2) . .
C3 C2 C1 123.0(2) . .
C7 C2 C1 115.8(2) . .
O1 C3 C2 121.7(2) . .
O1 C3 C4 120.34(19) . .
C2 C3 C4 117.93(19) . .
C5 C4 C3 117.8(2) . .
C5 C4 C8 121.7(2) . .
C3 C4 C8 120.50(19) . .
C4 C5 C6 124.9(2) . .
C4 C5 H5A 117.5 . .
C6 C5 H5A 117.5 . .
C7 C6 C5 116.5(2) . .
C7 C6 C12 122.4(2) . .
C5 C6 C12 121.0(2) . .
C6 C7 C2 121.7(2) . .
C6 C7 H7A 119.1 . .
C2 C7 H7A 119.1 . .
C9 C8 C10 107.9(2) . .
C9 C8 C4 112.04(19) . .
C10 C8 C4 109.67(19) . .
C9 C8 C11 107.2(2) . .
C10 C8 C11 109.3(2) . .
C4 C8 C11 110.63(19) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14A C12 C13A 113.7(8) . .
C14A C12 C14 141.3(5) . .
C13A C12 C14 43.5(5) . .
C14A C12 C13 57.3(6) . .
C13A C12 C13 132.2(5) . .
C14 C12 C13 110.4(3) . .
C14A C12 C6 109.2(5) . .
C13A C12 C6 113.7(4) . .
C14 C12 C6 109.2(2) . .
C13 C12 C6 113.1(2) . .
C14A C12 C15 53.3(6) . .
C13A C12 C15 66.7(6) . .
C14 C12 C15 109.2(3) . .
C13 C12 C15 107.1(3) . .
C6 C12 C15 107.7(2) . .
C14A C12 C15A 109.9(8) . .
C13A C12 C15A 104.5(8) . .
C14 C12 C15A 63.8(6) . .
C13 C12 C15A 53.3(6) . .
C6 C12 C15A 105.4(4) . .
C15 C12 C15A 146.4(5) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C13A H13D 109.5 . .
C12 C13A H13E 109.5 . .
H13D C13A H13E 109.5 . .
C12 C13A H13F 109.5 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.5 . .
C12 C14A H14D 109.5 . .
C12 C14A H14E 109.5 . .
H14D C14A H14E 109.5 . .
C12 C14A H14F 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
C12 C15A H15D 109.5 . .
C12 C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
C12 C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
N1 C16 C17 107.77(17) . .
N1 C16 C19 113.33(18) . 2
C17 C16 C19 108.39(18) . 2
N1 C16 H16A 109.1 . .
C17 C16 H16A 109.1 . .
C19 C16 H16A 109.1 2 .
C19 C17 C18 109.20(19) . .
C19 C17 C16 108.74(17) . .
C18 C17 C16 108.89(19) . .
C19 C17 H17A 110.0 . .
C18 C17 H17A 110.0 . .
C16 C17 H17A 110.0 . .
C17 C18 C18 108.80(12) . 2
C17 C18 H18A 109.9 . .
C18 C18 H18A 109.9 2 .
C17 C18 H18B 109.9 . .
C18 C18 H18B 109.9 2 .
H18A C18 H18B 108.3 . .
C17 C19 C16 109.61(18) . 2
C17 C19 H19A 109.7 . .
C16 C19 H19A 109.7 2 .
C17 C19 H19B 109.7 . .
C16 C19 H19B 109.7 2 .
H19A C19 H19B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.9029(15) .
Cu1 O1 1.9029(15) 2
Cu1 N1 1.9634(17) 2
Cu1 N1 1.9634(18) .
O1 C3 1.308(3) .
N1 C1 1.292(3) .
N1 C16 1.483(3) .
C1 C2 1.435(3) .
C1 H1A 0.9500 .
C2 C3 1.411(3) .
C2 C7 1.413(3) .
C3 C4 1.438(3) .
C4 C5 1.382(3) .
C4 C8 1.537(3) .
C5 C6 1.409(3) .
C5 H5A 0.9500 .
C6 C7 1.370(3) .
C6 C12 1.534(3) .
C7 H7A 0.9500 .
C8 C9 1.532(3) .
C8 C10 1.533(3) .
C8 C11 1.540(3) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C14A 1.465(11) .
C12 C13A 1.514(10) .
C12 C14 1.507(5) .
C12 C13 1.513(4) .
C12 C15 1.561(5) .
C12 C15A 1.615(11) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C13A H13D 0.9800 .
C13A H13E 0.9800 .
C13A H13F 0.9800 .
C14A H14D 0.9800 .
C14A H14E 0.9800 .
C14A H14F 0.9800 .
C15A H15D 0.9800 .
C15A H15E 0.9800 .
C15A H15F 0.9800 .
C16 C17 1.540(3) .
C16 C19 1.542(3) 2
C16 H16A 1.0000 .
C17 C19 1.531(3) .
C17 C18 1.529(3) .
C17 H17A 1.0000 .
C18 C18 1.553(5) 2
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C16 1.542(3) 2
C19 H19A 0.9900 .
C19 H19B 0.9900 .
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_4
O1 Cu1 O1 C3 166.3(2) 2 .
N1 Cu1 O1 C3 -103.3(2) 2 .
N1 Cu1 O1 C3 13.10(19) . .
O1 Cu1 N1 C1 -3.68(17) . .
O1 Cu1 N1 C1 -92.3(2) 2 .
N1 Cu1 N1 C1 152.3(2) 2 .
O1 Cu1 N1 C16 -175.96(16) . .
O1 Cu1 N1 C16 95.4(2) 2 .
N1 Cu1 N1 C16 -19.99(13) 2 .
C16 N1 C1 C2 169.2(2) . .
Cu1 N1 C1 C2 -3.8(3) . .
N1 C1 C2 C3 5.5(4) . .
N1 C1 C2 C7 -171.6(2) . .
Cu1 O1 C3 C2 -14.6(3) . .
Cu1 O1 C3 C4 166.12(15) . .
C7 C2 C3 O1 -178.9(2) . .
C1 C2 C3 O1 4.1(3) . .
C7 C2 C3 C4 0.4(3) . .
C1 C2 C3 C4 -176.6(2) . .
O1 C3 C4 C5 -179.2(2) . .
C2 C3 C4 C5 1.5(3) . .
O1 C3 C4 C8 1.2(3) . .
C2 C3 C4 C8 -178.1(2) . .
C3 C4 C5 C6 -2.2(3) . .
C8 C4 C5 C6 177.4(2) . .
C4 C5 C6 C7 0.9(3) . .
C4 C5 C6 C12 -178.0(2) . .
C5 C6 C7 C2 1.1(3) . .
C12 C6 C7 C2 180.0(2) . .
C3 C2 C7 C6 -1.7(3) . .
C1 C2 C7 C6 175.5(2) . .
C5 C4 C8 C9 3.0(3) . .
C3 C4 C8 C9 -177.5(2) . .
C5 C4 C8 C10 -116.8(2) . .
C3 C4 C8 C10 62.7(3) . .
C5 C4 C8 C11 122.6(2) . .
C3 C4 C8 C11 -57.9(3) . .
C7 C6 C12 C14A -61.5(7) . .
C5 C6 C12 C14A 117.3(7) . .
C7 C6 C12 C13A 170.3(7) . .
C5 C6 C12 C13A -10.9(7) . .
C7 C6 C12 C14 123.6(3) . .
C5 C6 C12 C14 -57.6(4) . .
C7 C6 C12 C13 0.2(4) . .
C5 C6 C12 C13 179.1(3) . .
C7 C6 C12 C15 -117.9(3) . .
C5 C6 C12 C15 60.9(4) . .
C7 C6 C12 C15A 56.4(7) . .
C5 C6 C12 C15A -124.7(7) . .
C1 N1 C16 C17 -82.4(2) . .
Cu1 N1 C16 C17 90.51(19) . .
C1 N1 C16 C19 157.71(19) . 2
Cu1 N1 C16 C19 -29.4(2) . 2
N1 C16 C17 C19 -54.2(2) . .
C19 C16 C17 C19 68.82(19) 2 .
N1 C16 C17 C18 -173.09(17) . .
C19 C16 C17 C18 -50.1(2) 2 .
C19 C17 C18 C18 -48.9(3) . 2
C16 C17 C18 C18 69.7(3) . 2
C18 C17 C19 C16 68.8(2) . 2
C16 C17 C19 C16 -49.9(2) . 2
