# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_d
_database_code_depnum_ccdc_archive 'CCDC 1540295'
_audit_update_record             
;
2017-03-27 deposited with the CCDC.
2017-05-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H17 Cu2 N O10'
_chemical_formula_weight         630.49

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'
Cu Cu 0.3201 1.2651 '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'

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63/mmc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-y, -x, -z+1/2'
'x-y, -y, -z'
'x, x-y, -z+1/2'
'y, x, -z'
'-x+y, y, -z+1/2'
'-x, -x+y, -z'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -z-1/2'
'y, x, z-1/2'
'-x+y, y, z'
'-x, -x+y, z-1/2'
'-y, -x, z'
'x-y, -y, z-1/2'
'x, x-y, z'

_cell_length_a                   18.7251(3)
_cell_length_b                   18.7251(3)
_cell_length_c                   23.3446(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7088.7(2)
_cell_formula_units_Z            6
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8195
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      18.3

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1908
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7673
_exptl_absorpt_correction_T_max  0.8728
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            117877
_diffrn_reflns_av_R_equivalents  0.1065
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.26
_diffrn_reflns_theta_max         25.02
_reflns_number_total             2361
_reflns_number_gt                2012
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1100P)²+15.7534P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2361
_refine_ls_number_parameters     131
_refine_ls_number_restraints     122
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0856
_refine_ls_wR_factor_ref         0.2399
_refine_ls_wR_factor_gt          0.2188
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_restrained_S_all      1.216
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.002

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 0.04597(5) 0.52298(2) -0.04725(4) 0.0406(4) Uani 1 2 d S . .
O1 O 0.1110(2) 0.4826(2) -0.00825(18) 0.0556(11) Uani 1 1 d . . .
O2 O 0.0319(2) 0.4418(3) 0.07136(18) 0.0557(11) Uani 1 1 d . . .
C1 C 0.0921(3) 0.4516(3) 0.0416(3) 0.0484(14) Uani 1 1 d U . .
C2 C 0.1477(3) 0.4244(3) 0.0684(2) 0.0459(13) Uani 1 1 d U . .
C3 C 0.2237(3) 0.4474(5) 0.0432(4) 0.0502(19) Uani 1 2 d SU . .
H3 H 0.2391 0.4781 0.0096 0.060 Uiso 1 2 calc SR . .
C4 C 0.1260(3) 0.3785(4) 0.1182(2) 0.0503(14) Uani 1 1 d U . .
H4 H 0.0794 0.3709 0.1377 0.060 Uiso 1 1 calc R . .
C5 C 0.17086(16) 0.3417(3) 0.1417(3) 0.064(2) Uani 1 2 d SU . .
C6 C 0.14122(16) 0.3107(3) 0.1918(3) 0.043(5) Uani 0.25 1 d PRU . .
C7 C 0.17612(16) 0.3538(3) 0.2415(3) 0.036(3) Uani 0.50 2 d SPRU . .
H7A H 0.2212 0.4098 0.2398 0.043 Uiso 0.25 1 d PR . .
C8 C 0.14479(16) 0.3157(3) 0.2953(3) 0.041(5) Uani 0.25 1 d PRDU . .
C9 C 0.07919(16) 0.2365(3) 0.2983(3) 0.068(8) Uani 0.25 1 d PRU . .
C10 C 0.04170(16) 0.1909(3) 0.2499(3) 0.070(4) Uani 0.50 2 d SPRDU . .
C11 C -0.02611(16) 0.1091(3) 0.2499(3) 0.093(6) Uani 0.50 2 d SPRU . .
H11A H -0.0503 0.0849 0.2862 0.111 Uiso 0.25 1 d PR . .
C12 C -0.06101(16) 0.0602(3) 0.1995(3) 0.106(7) Uani 0.50 2 d SPRU . .
H12A H -0.1020 0.0028 0.2011 0.128 Uiso 0.25 1 d PR . .
C13 C -0.02968(16) 0.1041(3) 0.1456(3) 0.094(8) Uani 0.25 1 d PRU . .
H13A H -0.0560 0.0766 0.1106 0.113 Uiso 0.25 1 d PR . .
C14 C 0.03591(16) 0.1832(3) 0.1427(3) 0.062(7) Uani 0.25 1 d PRU . .
H14A H 0.0567 0.2080 0.1060 0.075 Uiso 0.25 1 d PR . .
C15 C 0.07341(16) 0.2288(3) 0.1933(3) 0.053(6) Uani 0.25 1 d PRU . .
N1 N 0.0538(15) 0.1915(13) 0.3538(8) 0.097(11) Uani 0.25 1 d PDU . .
H1A H 0.0153 0.1377 0.3544 0.117 Uiso 0.25 1 d PR . .
H1B H 0.0762 0.2183 0.3868 0.117 Uiso 0.25 1 d PR . .
O1W O 0.1096(6) 0.5548(3) -0.1280(4) 0.117(3) Uani 1 2 d S . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Cu1 O1 1.950(4) 24_565 ?
Cu1 O1 1.950(4) . ?
Cu1 O2 1.959(4) 12 ?
Cu1 O2 1.959(4) 13_565 ?
Cu1 O1W 2.149(7) . ?
Cu1 Cu1 2.6625(17) 13_565 ?
O1 C1 1.269(7) . ?
O2 C1 1.258(7) . ?
O2 Cu1 1.959(4) 13_565 ?
C1 C2 1.506(8) . ?
C2 C4 1.379(8) . ?
C2 C3 1.395(7) . ?
C3 C2 1.395(7) 20 ?
C3 H3 0.9300 . ?
C4 C5 1.435(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.2997 20 ?
C5 C6 1.2996 . ?
C5 C4 1.436(7) 20 ?
C5 C8 1.548(14) 11 ?
C5 C8 1.548(14) 16_556 ?
C6 C8 0.312(14) 16_556 ?
C6 C6 0.5282 20 ?
C6 C8 0.596(7) 11 ?
C6 C9 1.310(3) 16_556 ?
C6 C7 1.3789 . ?
C6 C15 1.4198 . ?
C6 C9 1.578(2) 11 ?
C6 C15 1.6813 20 ?
C6 C7 1.725(13) 16_556 ?
C7 C7 0.395(14) 16_556 ?
C7 C8 1.084(11) 16_556 ?
C7 C8 1.091(11) 11 ?
C7 C6 1.3846 20 ?
C7 C8 1.4189 . ?
C7 C8 1.4239 20 ?
C7 C6 1.725(13) 16_556 ?
C7 C6 1.730(13) 11 ?
C7 H7A 0.9630 . ?
C8 C6 0.312(14) 16_556 ?
C8 C8 0.4885 20 ?
C8 C6 0.596(7) 11 ?
C8 C7 1.084(11) 16_556 ?
C8 C9 1.3745 . ?
C8 C15 1.526(3) 16_556 ?
C8 C5 1.548(14) 16_556 ?
C8 C9 1.6138 20 ?
C8 C15 1.755(2) 11 ?
C9 C15 0.237(12) 16_556 ?
C9 C6 1.310(3) 16_556 ?
C9 C10 1.3779 . ?
C9 C9 1.4634 20 ?
C9 C15 1.5175(19) 11 ?
C9 N1 1.489(15) . ?
C9 C6 1.578(2) 11 ?
C9 C8 1.6138 20 ?
C9 C14 1.656(12) 16_556 ?
C10 C9 1.374(12) 16_556 ?
C10 C11 1.4195 . ?
C10 C15 1.482(13) 16_556 ?
C10 C15 1.4773 . ?
C10 C10 2.0135 20 ?
C11 C12 1.437(12) 16_556 ?
C11 C12 1.4329 . ?
C11 C11 1.554(9) 7 ?
C11 H11A 0.9619 . ?
C12 C11 1.429(13) 7 ?
C12 C13 1.447(4) 22 ?
C12 C13 1.4543 . ?
C12 H12A 0.9604 . ?
C13 C14 1.3745 . ?
C13 C13 1.393(9) 22 ?
C13 N1 1.60(2) 16_556 ?
C13 H13A 0.9599 . ?
C14 N1 0.30(2) 16_556 ?
C14 C15 1.4198 . ?
C14 C9 1.656(12) 16_556 ?
C14 N1 1.84(3) 11 ?
C14 H14A 0.9600 . ?
C15 C9 0.237(12) 16_556 ?
C15 N1 1.25(2) 16_556 ?
C15 C9 1.5175(19) 11 ?
C15 C15 1.5355 20 ?
C15 C8 1.526(3) 16_556 ?
C15 C6 1.6813 20 ?
C15 C8 1.755(2) 11 ?
N1 C14 0.30(2) 16_556 ?
N1 C15 1.25(2) 16_556 ?
N1 C13 1.60(2) 16_556 ?
N1 N1 1.57(6) 20 ?
N1 C14 1.84(3) 11 ?
N1 H1A 0.8999 . ?
N1 H1B 0.9000 . ?

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
O1 Cu1 O1 88.8(2) 24_565 . ?
O1 Cu1 O2 168.10(17) 24_565 12 ?
O1 Cu1 O2 89.23(17) . 12 ?
O1 Cu1 O2 89.23(17) 24_565 13_565 ?
O1 Cu1 O2 168.10(17) . 13_565 ?
O2 Cu1 O2 90.3(3) 12 13_565 ?
O1 Cu1 O1W 98.6(2) 24_565 . ?
O1 Cu1 O1W 98.6(2) . . ?
O2 Cu1 O1W 93.3(2) 12 . ?
O2 Cu1 O1W 93.3(2) 13_565 . ?
O1 Cu1 Cu1 85.18(12) 24_565 13_565 ?
O1 Cu1 Cu1 85.18(12) . 13_565 ?
O2 Cu1 Cu1 82.96(12) 12 13_565 ?
O2 Cu1 Cu1 82.96(12) 13_565 13_565 ?
O1W Cu1 Cu1 174.6(3) . 13_565 ?
C1 O1 Cu1 121.3(4) . . ?
C1 O2 Cu1 123.7(4) . 13_565 ?
O2 C1 O1 126.7(5) . . ?
O2 C1 C2 116.2(5) . . ?
O1 C1 C2 117.0(5) . . ?
C4 C2 C3 119.0(6) . . ?
C4 C2 C1 121.5(5) . . ?
C3 C2 C1 119.4(5) . . ?
C2 C3 C2 120.0(8) 20 . ?
C2 C3 H3 120.0 20 . ?
C2 C3 H3 120.0 . . ?
C2 C4 C5 124.1(5) . . ?
C2 C4 H4 117.9 . . ?
C5 C4 H4 117.9 . . ?
C6 C5 C6 23.5 20 . ?
C6 C5 C4 109.7(3) 20 20 ?
C6 C5 C4 132.3(3) . 20 ?
C6 C5 C4 132.3(3) 20 . ?
C6 C5 C4 109.8(3) . . ?
C4 C5 C4 111.2(6) 20 . ?
C6 C5 C8 7.64(17) 20 11 ?
C6 C5 C8 22.0 . 11 ?
C4 C5 C8 110.3(3) 20 11 ?
C4 C5 C8 127.4(5) . 11 ?
C6 C5 C8 22.0 20 16_556 ?
C6 C5 C8 7.64(17) . 16_556 ?
C4 C5 C8 127.4(5) 20 16_556 ?
C4 C5 C8 110.3(3) . 16_556 ?
C8 C5 C8 18.15(16) 11 16_556 ?
C8 C6 C6 86.36(17) 16_556 20 ?
C8 C6 C8 54.8(10) 16_556 11 ?
C6 C6 C8 31.5(11) 20 11 ?
C8 C6 C5 138.8(7) 16_556 . ?
C6 C6 C5 78.3 20 . ?
C8 C6 C5 103.2(11) 11 . ?
C8 C6 C9 95.2(13) 16_556 16_556 ?
C6 C6 C9 110.9 20 16_556 ?
C8 C6 C9 109.9(9) 11 16_556 ?
C5 C6 C9 126.0(6) . 16_556 ?
C8 C6 C7 17.2(7) 16_556 . ?
C6 C6 C7 79.6 20 . ?
C8 C6 C7 49.6(9) 11 . ?
C5 C6 C7 121.6 . . ?
C9 C6 C7 112.4(6) 16_556 . ?
C8 C6 C15 104.0(7) 16_556 . ?
C6 C6 C15 110.8 20 . ?
C8 C6 C15 114.7(4) 11 . ?
C5 C6 C15 117.2 . . ?
C9 C6 C15 8.8(6) 16_556 . ?
C7 C6 C15 121.2 . . ?
C8 C6 C9 91.0(9) 16_556 11 ?
C6 C6 C9 50.87(7) 20 11 ?
C8 C6 C9 59.45(8) 11 11 ?
C5 C6 C9 107.4(5) . 11 ?
C9 C6 C9 60.03(11) 16_556 11 ?
C7 C6 C9 98.5(5) . 11 ?
C15 C6 C9 60.5 . 11 ?
C8 C6 C15 98.4(4) 16_556 20 ?
C6 C6 C15 52.1 20 20 ?
C8 C6 C15 64.8(3) 11 20 ?
C5 C6 C15 101.5 . 20 ?
C9 C6 C15 59.43(5) 16_556 20 ?
C7 C6 C15 105.8 . 20 ?
C15 C6 C15 58.6 . 20 ?
C9 C6 C15 7.5(5) 11 20 ?
C8 C6 C7 10.2(5) 16_556 16_556 ?
C6 C6 C7 81.69(6) 20 16_556 ?
C8 C6 C7 50.7(10) 11 16_556 ?
C5 C6 C7 128.7(2) . 16_556 ?
C9 C6 C7 105.3(8) 16_556 16_556 ?
C7 C6 C7 7.1(2) . 16_556 ?
C15 C6 C7 114.1(2) . 16_556 ?
C9 C6 C7 94.9(6) 11 16_556 ?
C15 C6 C7 102.29(10) 20 16_556 ?
C7 C7 C8 142.5(5) 16_556 16_556 ?
C7 C7 C8 142.1(5) 16_556 11 ?
C8 C7 C8 26.0(3) 16_556 11 ?
C7 C7 C6 147.4 16_556 . ?
C8 C7 C6 4.9(5) 16_556 . ?
C8 C7 C6 24.6(2) 11 . ?
C7 C7 C6 147.0 16_556 20 ?
C8 C7 C6 24.3(2) 16_556 20 ?
C8 C7 C6 5.0(5) 11 20 ?
C6 C7 C6 22.0 . 20 ?
C7 C7 C8 27.7 16_556 . ?
C8 C7 C8 114.8(5) 16_556 . ?
C8 C7 C8 119.3(4) 11 . ?
C6 C7 C8 119.7 . . ?
C6 C7 C8 123.7 20 . ?
C7 C7 C8 28.1 16_556 20 ?
C8 C7 C8 119.4(4) 16_556 20 ?
C8 C7 C8 114.0(5) 11 20 ?
C6 C7 C8 123.8 . 20 ?
C6 C7 C8 118.9 20 20 ?
C8 C7 C8 19.8 . 20 ?
C7 C7 C6 25.5(2) 16_556 16_556 ?
C8 C7 C6 117.0(3) 16_556 16_556 ?
C8 C7 C6 121.1(3) 11 16_556 ?
C6 C7 C6 121.9(2) . 16_556 ?
C6 C7 C6 125.54(18) 20 16_556 ?
C8 C7 C6 2.2(2) . 16_556 ?
C8 C7 C6 18.9 20 16_556 ?
C7 C7 C6 25.8(2) 16_556 11 ?
C8 C7 C6 121.2(3) 16_556 11 ?
C8 C7 C6 116.3(3) 11 11 ?
C6 C7 C6 125.60(19) . 11 ?
C6 C7 C6 121.2(2) 20 11 ?
C8 C7 C6 18.7 . 11 ?
C8 C7 C6 2.3(2) 20 11 ?
C6 C7 C6 17.59(13) 16_556 11 ?
C7 C7 H7A 92.4 16_556 . ?
C8 C7 H7A 125.0 16_556 . ?
C8 C7 H7A 114.9 11 . ?
C6 C7 H7A 120.2 . . ?
C6 C7 H7A 111.9 20 . ?
C8 C7 H7A 120.1 . . ?
C8 C7 H7A 112.7 20 . ?
C6 C7 H7A 118.0 16_556 . ?
C6 C7 H7A 111.5 11 . ?
C6 C8 C8 93.64(16) 16_556 20 ?
C6 C8 C6 62.1(13) 16_556 11 ?
C8 C8 C6 31.5(11) 20 11 ?
C6 C8 C7 157.9(12) 16_556 16_556 ?
C8 C8 C7 77.78(13) 20 16_556 ?
C6 C8 C7 107.3(7) 11 16_556 ?
C6 C8 C9 71.7(7) 16_556 . ?
C8 C8 C9 110.8 20 . ?
C6 C8 C9 98.61(18) 11 . ?
C7 C8 C9 130.3(5) 16_556 . ?
C6 C8 C7 167.6(7) 16_556 . ?
C8 C8 C7 80.7 20 . ?
C6 C8 C7 111.6(11) 11 . ?
C7 C8 C7 9.8(5) 16_556 . ?
C9 C8 C7 120.6 . . ?
C6 C8 C15 64.51(18) 16_556 16_556 ?
C8 C8 C15 110.1 20 16_556 ?
C6 C8 C15 94.5(6) 11 16_556 ?
C7 C8 C15 137.5(10) 16_556 16_556 ?
C9 C8 C15 7.2(5) . 16_556 ?
C7 C8 C15 127.8(5) . 16_556 ?
C6 C8 C5 33.6(9) 16_556 16_556 ?
C8 C8 C5 80.93(8) 20 16_556 ?
C6 C8 C5 54.8(11) 11 16_556 ?
C7 C8 C5 124.3(3) 16_556 16_556 ?
C9 C8 C5 105.28(17) . 16_556 ?
C7 C8 C5 134.08(17) . 16_556 ?
C15 C8 C5 98.1(7) 16_556 16_556 ?
C6 C8 C9 77.9(4) 16_556 20 ?
C8 C8 C9 52.8 20 20 ?
C6 C8 C9 49.8(5) 11 20 ?
C7 C8 C9 111.1(2) 16_556 20 ?
C9 C8 C9 58.0 . 20 ?
C7 C8 C9 106.6 . 20 ?
C15 C8 C9 57.7 16_556 20 ?
C5 C8 C9 94.67(6) 16_556 20 ?
C6 C8 C15 71.4 16_556 11 ?
C8 C8 C15 54.78(6) 20 11 ?
C6 C8 C15 47.33(10) 11 11 ?
C7 C8 C15 117.1(6) 16_556 11 ?
C9 C8 C15 56.5 . 11 ?
C7 C8 C15 113.0(4) . 11 ?
C15 C8 C15 55.29(9) 16_556 11 ?
C5 C8 C15 89.1(5) 16_556 11 ?
C9 C8 C15 6.5(5) 20 11 ?
C15 C9 C6 113(3) 16_556 16_556 ?
C15 C9 C8 126.1(19) 16_556 . ?
C6 C9 C8 13.1(6) 16_556 . ?
C15 C9 C10 112(2) 16_556 . ?
C6 C9 C10 135.1(6) 16_556 . ?
C8 C9 C10 122.1 . . ?
C15 C9 C9 98.8(4) 16_556 20 ?
C6 C9 C9 69.1 16_556 20 ?
C8 C9 C9 69.2 . 20 ?
C10 C9 C9 101.5 . 20 ?
C15 C9 C15 89.9(9) 16_556 11 ?
C6 C9 C15 72.54(13) 16_556 11 ?
C8 C9 C15 74.5 . 11 ?
C10 C9 C15 105.1(4) . 11 ?
C9 C9 C15 8.9(5) 20 11 ?
C15 C9 N1 7.3(16) 16_556 . ?
C6 C9 N1 108.0(10) 16_556 . ?
C8 C9 N1 120.9(8) . . ?
C10 C9 N1 116.3(8) . . ?
C9 C9 N1 92.1(11) 20 . ?
C15 C9 N1 83.2(12) 11 . ?
C15 C9 C6 112(2) 16_556 11 ?
C6 C9 C6 18.2 16_556 11 ?
C8 C9 C6 21.9(3) . 11 ?
C10 C9 C6 131.0(5) . 11 ?
C9 C9 C6 50.87(6) 20 11 ?
C15 C9 C6 54.56(8) 11 11 ?
N1 C9 C6 105.6(10) . 11 ?
C15 C9 C8 123.2(18) 16_556 20 ?
C6 C9 C8 20.3(4) 16_556 20 ?
C8 C9 C8 16.4 . 20 ?
C10 C9 C8 120.8 . 20 ?
C9 C9 C8 52.8 20 20 ?
C15 C9 C8 58.23(7) 11 20 ?
N1 C9 C8 116.7(9) . 20 ?
C6 C9 C8 11.2(5) 11 20 ?
C15 C9 C14 2.1(5) 16_556 16_556 ?
C6 C9 C14 113.5(9) 16_556 16_556 ?
C8 C9 C14 126.6(3) . 16_556 ?
C10 C9 C14 111.4(3) . 16_556 ?
C9 C9 C14 100.83(8) 20 16_556 ?
C15 C9 C14 92.0(5) 11 16_556 ?
N1 C9 C14 9.2(10) . 16_556 ?
C6 C9 C14 113.2(8) 11 16_556 ?
C8 C9 C14 124.3(3) 20 16_556 ?
C9 C10 C9 110.0(3) . 16_556 ?
C9 C10 C11 124.9 . . ?
C9 C10 C11 125.1(3) 16_556 . ?
C9 C10 C15 8.5(2) . 16_556 ?
C9 C10 C15 118.53(10) 16_556 16_556 ?
C11 C10 C15 116.4(2) . 16_556 ?
C9 C10 C15 118.6 . . ?
C9 C10 C15 8.6(3) 16_556 . ?
C11 C10 C15 116.5 . . ?
C15 C10 C15 127.1(2) 16_556 . ?
C9 C10 C10 78.5 . 20 ?
C9 C10 C10 78.45(10) 16_556 20 ?
C11 C10 C10 110.8 . 20 ?
C15 C10 C10 80.72(8) 16_556 20 ?
C15 C10 C10 80.7 . 20 ?
C10 C11 C12 124.3(3) . 16_556 ?
C10 C11 C12 124.5 . . ?
C12 C11 C12 110.6(3) 16_556 . ?
C10 C11 C11 170.8 . 7 ?
C12 C11 C11 56.7(2) 16_556 7 ?
C12 C11 C11 57.0(5) . 7 ?
C10 C11 H11A 117.7 . . ?
C12 C11 H11A 10.5 16_556 . ?
C12 C11 H11A 117.8 . . ?
C11 C11 H11A 61.7 7 . ?
C11 C12 C11 65.8(4) 7 . ?
C11 C12 C13 116.1(7) 7 22 ?
C11 C12 C13 162.14(11) . 22 ?
C11 C12 C13 162.42(15) 7 . ?
C11 C12 C13 115.0 . . ?
C13 C12 C13 57.4(3) 22 . ?
C11 C12 H12A 59.7 7 . ?
C11 C12 H12A 122.5 . . ?
C13 C12 H12A 67.4 22 . ?
C13 C12 H12A 122.5 . . ?
C14 C13 C13 170.4 . 22 ?
C14 C13 C12 122.9 . . ?
C13 C13 C12 61.0 22 . ?
C14 C13 N1 7.7(10) . 16_556 ?
C13 C13 N1 177.7(10) 22 16_556 ?
C12 C13 N1 118.9(8) . 16_556 ?
C14 C13 H13A 118.5 . . ?
C13 C13 H13A 58.4 22 . ?
C12 C13 H13A 118.6 . . ?
N1 C13 H13A 122.1 16_556 . ?
N1 C14 C13 135(5) 16_556 . ?
N1 C14 C15 52(4) 16_556 . ?
C13 C14 C15 120.9 . . ?
N1 C14 C9 52(4) 16_556 16_556 ?
C13 C14 C9 120.8(3) . 16_556 ?
C15 C14 C9 0.35(10) . 16_556 ?
N1 C14 N1 26(4) 16_556 11 ?
C13 C14 N1 114.8(7) . 11 ?
C15 C14 N1 74.5(6) . 11 ?
C9 C14 N1 74.8(5) 16_556 11 ?
N1 C14 H14A 85.1 16_556 . ?
C13 C14 H14A 119.6 . . ?
C15 C14 H14A 119.5 . . ?
C9 C14 H14A 119.6 16_556 . ?
N1 C14 H14A 81.2 11 . ?
C9 C15 N1 171.3(18) 16_556 16_556 ?
C9 C15 C14 177.6(5) 16_556 . ?
N1 C15 C14 10.8(12) 16_556 . ?
C9 C15 C6 58(2) 16_556 . ?
N1 C15 C6 115.7(10) 16_556 . ?
C14 C15 C6 122.4 . . ?
C9 C15 C10 60(2) 16_556 . ?
N1 C15 C10 125.5(11) 16_556 . ?
C14 C15 C10 119.7 . . ?
C6 C15 C10 117.9 . . ?
C9 C15 C9 72.4 16_556 11 ?
N1 C15 C9 99.7(14) 16_556 11 ?
C14 C15 C9 110.0(5) . 11 ?
C6 C15 C9 64.9 . 11 ?
C10 C15 C9 94.5(5) . 11 ?
C9 C15 C15 81.2(5) 16_556 20 ?
N1 C15 C15 90.8(13) 16_556 20 ?
C14 C15 C15 101.2 . 20 ?
C6 C15 C15 69.2 . 20 ?
C10 C15 C15 99.3 . 20 ?
C9 C15 C15 8.9(5) 11 20 ?
C9 C15 C8 46.7(14) 16_556 16_556 ?
N1 C15 C8 127.1(13) 16_556 16_556 ?
C14 C15 C8 133.8(5) . 16_556 ?
C6 C15 C8 11.5(5) . 16_556 ?
C10 C15 C8 106.5(5) . 16_556 ?
C9 C15 C8 64.04(10) 11 16_556 ?
C15 C15 C8 69.9 20 16_556 ?
C9 C15 C6 60.4(18) 16_556 20 ?
N1 C15 C6 111.8(11) 16_556 20 ?
C14 C15 C6 120.9 . 20 ?
C6 C15 C6 17.1 . 20 ?
C10 C15 C6 116.5 . 20 ?
C9 C15 C6 48.03(8) 11 20 ?
C15 C15 C6 52.1 20 20 ?
C8 C15 C6 20.7(3) 16_556 20 ?
C9 C15 C8 50.3(13) 16_556 11 ?
N1 C15 C8 121.9(12) 16_556 11 ?
C14 C15 C8 131.0(5) . 11 ?
C6 C15 C8 18.0(3) . 11 ?
C10 C15 C8 106.9(5) . 11 ?
C9 C15 C8 49.02(7) 11 11 ?
C15 C15 C8 54.78(5) 20 11 ?
C8 C15 C8 15.2 16_556 11 ?
C6 C15 C8 10.1(5) 20 11 ?
C14 N1 C15 118(5) 16_556 16_556 ?
C14 N1 C9 119(5) 16_556 . ?
C15 N1 C9 1.4(2) 16_556 . ?
C14 N1 C13 37(4) 16_556 16_556 ?
C15 N1 C13 116.1(16) 16_556 16_556 ?
C9 N1 C13 117.2(14) . 16_556 ?
C14 N1 N1 149(5) 16_556 20 ?
C15 N1 N1 89.2(13) 16_556 20 ?
C9 N1 N1 87.9(11) . 20 ?
C13 N1 N1 117.7(10) 16_556 20 ?
C14 N1 C14 144(5) 16_556 11 ?
C15 N1 C14 93.4(14) 16_556 11 ?
C9 N1 C14 92.2(12) . 11 ?
C13 N1 C14 113.5(14) 16_556 11 ?
N1 N1 C14 4.9(6) 20 11 ?
C14 N1 H1A 50.0 16_556 . ?
C15 N1 H1A 119.0 16_556 . ?
C9 N1 H1A 119.8 . . ?
C13 N1 H1A 13.8 16_556 . ?
N1 N1 H1A 103.9 20 . ?
C14 N1 H1A 99.7 11 . ?
C14 N1 H1B 98.4 16_556 . ?
C15 N1 H1B 121.0 16_556 . ?
C9 N1 H1B 120.1 . . ?
C13 N1 H1B 120.5 16_556 . ?
N1 N1 H1B 79.1 20 . ?
C14 N1 H1B 79.0 11 . ?
H1A N1 H1B 120.0 . . ?

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
O1 Cu1 O1 C1 85.7(4) 24_565 . . . ?
O2 Cu1 O1 C1 -82.5(4) 12 . . . ?
O2 Cu1 O1 C1 5.2(11) 13_565 . . . ?
O1W Cu1 O1 C1 -175.7(4) . . . . ?
Cu1 Cu1 O1 C1 0.5(4) 13_565 . . . ?
Cu1 O2 C1 O1 -2.3(8) 13_565 . . . ?
Cu1 O2 C1 C2 177.1(3) 13_565 . . . ?
Cu1 O1 C1 O2 0.9(8) . . . . ?
Cu1 O1 C1 C2 -178.5(3) . . . . ?
O2 C1 C2 C4 10.9(8) . . . . ?
O1 C1 C2 C4 -169.7(5) . . . . ?
O2 C1 C2 C3 -167.8(6) . . . . ?
O1 C1 C2 C3 11.7(8) . . . . ?
C4 C2 C3 C2 -0.3(11) . . . 20 ?
C1 C2 C3 C2 178.4(5) . . . 20 ?
C3 C2 C4 C5 -9.8(9) . . . . ?
C1 C2 C4 C5 171.6(5) . . . . ?
C2 C4 C5 C6 165.3(4) . . . 20 ?
C2 C4 C5 C6 172.8(4) . . . . ?
C2 C4 C5 C4 17.8(9) . . . 20 ?
C2 C4 C5 C8 157.6(4) . . . 11 ?
C2 C4 C5 C8 164.7(4) . . . 16_556 ?
C6 C5 C6 C8 70.42(18) 20 . . 16_556 ?
C4 C5 C6 C8 52.4(5) 20 . . 16_556 ?
C4 C5 C6 C8 -95.5(3) . . . 16_556 ?
C8 C5 C6 C8 50.9(6) 11 . . 16_556 ?
C4 C5 C6 C6 -18.1(4) 20 . . 20 ?
C4 C5 C6 C6 -165.9(3) . . . 20 ?
C8 C5 C6 C6 -19.5(4) 11 . . 20 ?
C8 C5 C6 C6 -70.42(18) 16_556 . . 20 ?
C6 C5 C6 C8 19.5(4) 20 . . 11 ?
C4 C5 C6 C8 1.4(5) 20 . . 11 ?
C4 C5 C6 C8 -146.4(6) . . . 11 ?
C8 C5 C6 C8 -50.9(6) 16_556 . . 11 ?
C6 C5 C6 C9 -107.4 20 . . 16_556 ?
C4 C5 C6 C9 -125.5(4) 20 . . 16_556 ?
C4 C5 C6 C9 86.7(4) . . . 16_556 ?
C8 C5 C6 C9 -127.0(4) 11 . . 16_556 ?
C8 C5 C6 C9 -177.9(2) 16_556 . . 16_556 ?
C6 C5 C6 C7 69.9 20 . . . ?
C4 C5 C6 C7 51.8(4) 20 . . . ?
C4 C5 C6 C7 -96.0(3) . . . . ?
C8 C5 C6 C7 50.3(4) 11 . . . ?
C8 C5 C6 C7 -0.56(17) 16_556 . . . ?
C6 C5 C6 C15 -107.5 20 . . . ?
C4 C5 C6 C15 -125.6(4) 20 . . . ?
C4 C5 C6 C15 86.6(3) . . . . ?
C8 C5 C6 C15 -127.0(4) 11 . . . ?
C8 C5 C6 C15 -177.92(17) 16_556 . . . ?
C6 C5 C6 C9 -42.2(2) 20 . . 11 ?
C4 C5 C6 C9 -60.3(4) 20 . . 11 ?
C4 C5 C6 C9 151.9(5) . . . 11 ?
C8 C5 C6 C9 -61.7(2) 11 . . 11 ?
C8 C5 C6 C9 -112.6(4) 16_556 . . 11 ?
C6 C5 C6 C15 -47.0 20 . . 20 ?
C4 C5 C6 C15 -65.1(4) 20 . . 20 ?
C4 C5 C6 C15 147.1(3) . . . 20 ?
C8 C5 C6 C15 -66.5(4) 11 . . 20 ?
C8 C5 C6 C15 -117.41(17) 16_556 . . 20 ?
C6 C5 C6 C7 69.2 20 . . 16_556 ?
C4 C5 C6 C7 51.1(4) 20 . . 16_556 ?
C4 C5 C6 C7 -96.7(3) . . . 16_556 ?
C8 C5 C6 C7 49.7(5) 11 . . 16_556 ?
C8 C5 C6 C7 -1.21(15) 16_556 . . 16_556 ?
C8 C6 C7 C7 5.4(5) 16_556 . . 16_556 ?
C6 C6 C7 C7 -106.7 20 . . 16_556 ?
C8 C6 C7 C7 -95.8(10) 11 . . 16_556 ?
C5 C6 C7 C7 -175.9 . . . 16_556 ?
C9 C6 C7 C7 1.7 16_556 . . 16_556 ?
C15 C6 C7 C7 1.4 . . . 16_556 ?
C9 C6 C7 C7 -59.3(2) 11 . . 16_556 ?
C15 C6 C7 C7 -61.2 20 . . 16_556 ?
C6 C6 C7 C8 -112.1(5) 20 . . 16_556 ?
C8 C6 C7 C8 -101.2(14) 11 . . 16_556 ?
C5 C6 C7 C8 178.7(5) . . . 16_556 ?
C9 C6 C7 C8 -3.6(4) 16_556 . . 16_556 ?
C15 C6 C7 C8 -4.0(5) . . . 16_556 ?
C9 C6 C7 C8 -64.6(7) 11 . . 16_556 ?
C15 C6 C7 C8 -66.5(5) 20 . . 16_556 ?
C7 C6 C7 C8 -5.4(5) 16_556 . . 16_556 ?
C8 C6 C7 C8 101.2(14) 16_556 . . 11 ?
C6 C6 C7 C8 -10.9(10) 20 . . 11 ?
C5 C6 C7 C8 -80.0(10) . . . 11 ?
C9 C6 C7 C8 97.6(10) 16_556 . . 11 ?
C15 C6 C7 C8 97.2(10) . . . 11 ?
C9 C6 C7 C8 36.6(7) 11 . . 11 ?
C15 C6 C7 C8 34.7(10) 20 . . 11 ?
C7 C6 C7 C8 95.8(10) 16_556 . . 11 ?
C8 C6 C7 C6 112.1(5) 16_556 . . 20 ?
C8 C6 C7 C6 10.9(10) 11 . . 20 ?
C5 C6 C7 C6 -69.2 . . . 20 ?
C9 C6 C7 C6 108.5 16_556 . . 20 ?
C15 C6 C7 C6 108.1 . . . 20 ?
C9 C6 C7 C6 47.4(2) 11 . . 20 ?
C15 C6 C7 C6 45.5 20 . . 20 ?
C7 C6 C7 C6 106.7 16_556 . . 20 ?
C8 C6 C7 C8 5.0(5) 16_556 . . . ?
C6 C6 C7 C8 -107.1 20 . . . ?
C8 C6 C7 C8 -96.2(10) 11 . . . ?
C5 C6 C7 C8 -176.3 . . . . ?
C9 C6 C7 C8 1.3 16_556 . . . ?
C15 C6 C7 C8 1.0 . . . . ?
C9 C6 C7 C8 -59.7(2) 11 . . . ?
C15 C6 C7 C8 -61.6 20 . . . ?
C7 C6 C7 C8 -0.4 16_556 . . . ?
C8 C6 C7 C8 27.8(5) 16_556 . . 20 ?
C6 C6 C7 C8 -84.3 20 . . 20 ?
C8 C6 C7 C8 -73.4(10) 11 . . 20 ?
C5 C6 C7 C8 -153.5 . . . 20 ?
C9 C6 C7 C8 24.2 16_556 . . 20 ?
C15 C6 C7 C8 23.8 . . . 20 ?
C9 C6 C7 C8 -36.9(2) 11 . . 20 ?
C15 C6 C7 C8 -38.8 20 . . 20 ?
C7 C6 C7 C8 22.4 16_556 . . 20 ?
C8 C6 C7 C6 5.4(5) 16_556 . . 16_556 ?
C6 C6 C7 C6 -106.7 20 . . 16_556 ?
C8 C6 C7 C6 -95.8(10) 11 . . 16_556 ?
C5 C6 C7 C6 -175.9 . . . 16_556 ?
C9 C6 C7 C6 1.7 16_556 . . 16_556 ?
C15 C6 C7 C6 1.4 . . . 16_556 ?
C9 C6 C7 C6 -59.3(2) 11 . . 16_556 ?
C15 C6 C7 C6 -61.2 20 . . 16_556 ?
C7 C6 C7 C6 0.0 16_556 . . 16_556 ?
C8 C6 C7 C6 26.1(6) 16_556 . . 11 ?
C6 C6 C7 C6 -85.99(11) 20 . . 11 ?
C8 C6 C7 C6 -75.1(9) 11 . . 11 ?
C5 C6 C7 C6 -155.17(11) . . . 11 ?
C9 C6 C7 C6 22.47(12) 16_556 . . 11 ?
C15 C6 C7 C6 22.08(11) . . . 11 ?
C9 C6 C7 C6 -38.56(13) 11 . . 11 ?
C15 C6 C7 C6 -40.46(11) 20 . . 11 ?
C7 C6 C7 C6 20.72(11) 16_556 . . 11 ?
C7 C7 C8 C6 -8.3(9) 16_556 . . 16_556 ?
C8 C7 C8 C6 171.7(9) 16_556 . . 16_556 ?
C8 C7 C8 C6 142.9(7) 11 . . 16_556 ?
C6 C7 C8 C6 171.2(9) . . . 16_556 ?
C6 C7 C8 C6 145.6(9) 20 . . 16_556 ?
C8 C7 C8 C6 63.5(9) 20 . . 16_556 ?
C6 C7 C8 C6 57.3(2) 11 . . 16_556 ?
C7 C7 C8 C8 -71.8 16_556 . . 20 ?
C8 C7 C8 C8 108.2 16_556 . . 20 ?
C8 C7 C8 C8 79.4(2) 11 . . 20 ?
C6 C7 C8 C8 107.7 . . . 20 ?
C6 C7 C8 C8 82.2 20 . . 20 ?
C6 C7 C8 C8 -63.5(9) 16_556 . . 20 ?
C6 C7 C8 C8 -6.2(6) 11 . . 20 ?
C7 C7 C8 C6 -65.6(6) 16_556 . . 11 ?
C8 C7 C8 C6 114.4(6) 16_556 . . 11 ?
C8 C7 C8 C6 85.6(4) 11 . . 11 ?
C6 C7 C8 C6 113.9(6) . . . 11 ?
C6 C7 C8 C6 88.4(6) 20 . . 11 ?
C8 C7 C8 C6 6.2(6) 20 . . 11 ?
C6 C7 C8 C6 -57.3(2) 16_556 . . 11 ?
C8 C7 C8 C7 180.0 16_556 . . 16_556 ?
C8 C7 C8 C7 151.22(19) 11 . . 16_556 ?
C6 C7 C8 C7 179.5 . . . 16_556 ?
C6 C7 C8 C7 154.0 20 . . 16_556 ?
C8 C7 C8 C7 71.8 20 . . 16_556 ?
C6 C7 C8 C7 8.3(9) 16_556 . . 16_556 ?
C6 C7 C8 C7 65.6(6) 11 . . 16_556 ?
C7 C7 C8 C9 179(100) 16_556 . . . ?
C8 C7 C8 C9 -0.5 16_556 . . . ?
C8 C7 C8 C9 -29.28(19) 11 . . . ?
C6 C7 C8 C9 -1.0 . . . . ?
C6 C7 C8 C9 -26.5 20 . . . ?
C8 C7 C8 C9 -108.7 20 . . . ?
C6 C7 C8 C9 -172.2(9) 16_556 . . . ?
C6 C7 C8 C9 -114.9(6) 11 . . . ?
C7 C7 C8 C15 180(100) 16_556 . . 16_556 ?
C8 C7 C8 C15 0.0 16_556 . . 16_556 ?
C8 C7 C8 C15 -28.81(19) 11 . . 16_556 ?
C6 C7 C8 C15 -0.5 . . . 16_556 ?
C6 C7 C8 C15 -26.0 20 . . 16_556 ?
C8 C7 C8 C15 -108.2 20 . . 16_556 ?
C6 C7 C8 C15 -171.7(9) 16_556 . . 16_556 ?
C6 C7 C8 C15 -114.4(6) 11 . . 16_556 ?
C7 C7 C8 C5 -4.2 16_556 . . 16_556 ?
C8 C7 C8 C5 175.8 16_556 . . 16_556 ?
C8 C7 C8 C5 147.01(17) 11 . . 16_556 ?
C6 C7 C8 C5 175.3 . . . 16_556 ?
C6 C7 C8 C5 149.8 20 . . 16_556 ?
C8 C7 C8 C5 67.6 20 . . 16_556 ?
C6 C7 C8 C5 4.1(8) 16_556 . . 16_556 ?
C6 C7 C8 C5 61.4(6) 11 . . 16_556 ?
C7 C7 C8 C9 -118.3 16_556 . . 20 ?
C8 C7 C8 C9 61.7 16_556 . . 20 ?
C8 C7 C8 C9 32.9(2) 11 . . 20 ?
C6 C7 C8 C9 61.3 . . . 20 ?
C6 C7 C8 C9 35.7 20 . . 20 ?
C8 C7 C8 C9 -46.5 20 . . 20 ?
C6 C7 C8 C9 -109.9(9) 16_556 . . 20 ?
C6 C7 C8 C9 -52.7(6) 11 . . 20 ?
C7 C7 C8 C15 -117.0(2) 16_556 . . 11 ?
C8 C7 C8 C15 63.0(2) 16_556 . . 11 ?
C8 C7 C8 C15 34.2 11 . . 11 ?
C6 C7 C8 C15 62.5(2) . . . 11 ?
C6 C7 C8 C15 37.0(2) 20 . . 11 ?
C8 C7 C8 C15 -45.2(2) 20 . . 11 ?
C6 C7 C8 C15 -108.7(7) 16_556 . . 11 ?
C6 C7 C8 C15 -51.4(4) 11 . . 11 ?
C6 C8 C9 C15 -1.21(15) 16_556 . . 16_556 ?
C8 C8 C9 C15 85.7(3) 20 . . 16_556 ?
C6 C8 C9 C15 55.6(9) 11 . . 16_556 ?
C7 C8 C9 C15 177.1(3) 16_556 . . 16_556 ?
C7 C8 C9 C15 177.0(3) . . . 16_556 ?
C5 C8 C9 C15 -0.2(2) 16_556 . . 16_556 ?
C9 C8 C9 C15 85.7(2) 20 . . 16_556 ?
C15 C8 C9 C15 78.2(3) 11 . . 16_556 ?
C8 C8 C9 C6 86.91(10) 20 . . 16_556 ?
C6 C8 C9 C6 56.8(11) 11 . . 16_556 ?
C7 C8 C9 C6 178.35(11) 16_556 . . 16_556 ?
C7 C8 C9 C6 178.23(10) . . . 16_556 ?
C15 C8 C9 C6 1.21(14) 16_556 . . 16_556 ?
C5 C8 C9 C6 1.00(7) 16_556 . . 16_556 ?
C9 C8 C9 C6 86.91(10) 20 . . 16_556 ?
C15 C8 C9 C6 79.4(5) 11 . . 16_556 ?
C6 C8 C9 C10 -177.74(10) 16_556 . . . ?
C8 C8 C9 C10 -90.8 20 . . . ?
C6 C8 C9 C10 -121.0(12) 11 . . . ?
C7 C8 C9 C10 0.6 16_556 . . . ?
C7 C8 C9 C10 0.5 . . . . ?
C15 C8 C9 C10 -176.5(2) 16_556 . . . ?
C5 C8 C9 C10 -176.7 16_556 . . . ?
C9 C8 C9 C10 -90.8 20 . . . ?
C15 C8 C9 C10 -98.3(6) 11 . . . ?
C6 C8 C9 C9 -86.91(10) 16_556 . . 20 ?
C8 C8 C9 C9 0.0 20 . . 20 ?
C6 C8 C9 C9 -30.1(12) 11 . . 20 ?
C7 C8 C9 C9 91.4 16_556 . . 20 ?
C7 C8 C9 C9 91.3 . . . 20 ?
C15 C8 C9 C9 -85.7(2) 16_556 . . 20 ?
C5 C8 C9 C9 -85.9 16_556 . . 20 ?
C15 C8 C9 C9 -7.5(6) 11 . . 20 ?
C6 C8 C9 C15 -79.4(5) 16_556 . . 11 ?
C8 C8 C9 C15 7.5(6) 20 . . 11 ?
C6 C8 C9 C15 -22.7(6) 11 . . 11 ?
C7 C8 C9 C15 98.9(6) 16_556 . . 11 ?
C7 C8 C9 C15 98.8(6) . . . 11 ?
C15 C8 C9 C15 -78.2(3) 16_556 . . 11 ?
C5 C8 C9 C15 -78.4(5) 16_556 . . 11 ?
C9 C8 C9 C15 7.5(6) 20 . . 11 ?
C6 C8 C9 N1 -7.4(13) 16_556 . . . ?
C8 C8 C9 N1 79.5(13) 20 . . . ?
C6 C8 C9 N1 49.4(18) 11 . . . ?
C7 C8 C9 N1 170.9(13) 16_556 . . . ?
C7 C8 C9 N1 170.8(13) . . . . ?
C15 C8 C9 N1 -6.2(13) 16_556 . . . ?
C5 C8 C9 N1 -6.4(13) 16_556 . . . ?
C9 C8 C9 N1 79.5(13) 20 . . . ?
C15 C8 C9 N1 72.0(14) 11 . . . ?
C6 C8 C9 C6 -56.8(11) 16_556 . . 11 ?
C8 C8 C9 C6 30.1(12) 20 . . 11 ?
C7 C8 C9 C6 121.6(12) 16_556 . . 11 ?
C7 C8 C9 C6 121.5(12) . . . 11 ?
C15 C8 C9 C6 -55.6(10) 16_556 . . 11 ?
C5 C8 C9 C6 -55.8(12) 16_556 . . 11 ?
C9 C8 C9 C6 30.1(12) 20 . . 11 ?
C15 C8 C9 C6 22.7(6) 11 . . 11 ?
C6 C8 C9 C8 -86.91(10) 16_556 . . 20 ?
C6 C8 C9 C8 -30.1(12) 11 . . 20 ?
C7 C8 C9 C8 91.4 16_556 . . 20 ?
C7 C8 C9 C8 91.3 . . . 20 ?
C15 C8 C9 C8 -85.7(2) 16_556 . . 20 ?
C5 C8 C9 C8 -85.9 16_556 . . 20 ?
C9 C8 C9 C8 0.0 20 . . 20 ?
C15 C8 C9 C8 -7.5(6) 11 . . 20 ?
C6 C8 C9 C14 1.31(9) 16_556 . . 16_556 ?
C8 C8 C9 C14 88.2 20 . . 16_556 ?
C6 C8 C9 C14 58.1(12) 11 . . 16_556 ?
C7 C8 C9 C14 179.7 16_556 . . 16_556 ?
C7 C8 C9 C14 179.5 . . . 16_556 ?
C15 C8 C9 C14 2.5(2) 16_556 . . 16_556 ?
C5 C8 C9 C14 2.3 16_556 . . 16_556 ?
C9 C8 C9 C14 88.2 20 . . 16_556 ?
C15 C8 C9 C14 80.7(5) 11 . . 16_556 ?
C15 C9 C10 C9 -177.44(10) 16_556 . . 16_556 ?
C6 C9 C10 C9 -1.2 16_556 . . 16_556 ?
C8 C9 C10 C9 -0.5 . . . 16_556 ?
C9 C9 C10 C9 -73.0 20 . . 16_556 ?
C15 C9 C10 C9 -81.4(3) 11 . . 16_556 ?
N1 C9 C10 C9 -171.2(12) . . . 16_556 ?
C6 C9 C10 C9 -25.56(17) 11 . . 16_556 ?
C8 C9 C10 C9 -19.7 20 . . 16_556 ?
C14 C9 C10 C9 -179.6 16_556 . . 16_556 ?
C15 C9 C10 C11 3.01(10) 16_556 . . . ?
C6 C9 C10 C11 179.3 16_556 . . . ?
C8 C9 C10 C11 180.0 . . . . ?
C9 C9 C10 C11 107.4 20 . . . ?
C15 C9 C10 C11 99.1(3) 11 . . . ?
N1 C9 C10 C11 9.2(12) . . . . ?
C6 C9 C10 C11 154.89(17) 11 . . . ?
C8 C9 C10 C11 160.7 20 . . . ?
C14 C9 C10 C11 0.8 16_556 . . . ?
C6 C9 C10 C15 176.25(9) 16_556 . . 16_556 ?
C8 C9 C10 C15 176.98(10) . . . 16_556 ?
C9 C9 C10 C15 104.40(10) 20 . . 16_556 ?
C15 C9 C10 C15 96.1(2) 11 . . 16_556 ?
N1 C9 C10 C15 6.2(12) . . . 16_556 ?
C6 C9 C10 C15 151.88(7) 11 . . 16_556 ?
C8 C9 C10 C15 157.73(10) 20 . . 16_556 ?
C14 C9 C10 C15 -2.20(10) 16_556 . . 16_556 ?
C15 C9 C10 C15 -177.01(10) 16_556 . . . ?
C6 C9 C10 C15 -0.8 16_556 . . . ?
C8 C9 C10 C15 0.0 . . . . ?
C9 C9 C10 C15 -72.6 20 . . . ?
C15 C9 C10 C15 -81.0(3) 11 . . . ?
N1 C9 C10 C15 -170.8(12) . . . . ?
C6 C9 C10 C15 -25.13(17) 11 . . . ?
C8 C9 C10 C15 -19.3 20 . . . ?
C14 C9 C10 C15 -179.2 16_556 . . . ?
C15 C9 C10 C10 -104.40(10) 16_556 . . 20 ?
C6 C9 C10 C10 71.9 16_556 . . 20 ?
C8 C9 C10 C10 72.6 . . . 20 ?
C9 C9 C10 C10 0.0 20 . . 20 ?
C15 C9 C10 C10 -8.3(3) 11 . . 20 ?
N1 C9 C10 C10 -98.2(12) . . . 20 ?
C6 C9 C10 C10 47.48(17) 11 . . 20 ?
C8 C9 C10 C10 53.3 20 . . 20 ?
C14 C9 C10 C10 -106.6 16_556 . . 20 ?
C9 C10 C11 C12 -5.00(6) . . . 16_556 ?
C9 C10 C11 C12 175.52(6) 16_556 . . 16_556 ?
C15 C10 C11 C12 -4.50(6) 16_556 . . 16_556 ?
C15 C10 C11 C12 175.02(6) . . . 16_556 ?
C10 C10 C11 C12 85.26(6) 20 . . 16_556 ?
C9 C10 C11 C12 -175.5 . . . . ?
C9 C10 C11 C12 5.0 16_556 . . . ?
C15 C10 C11 C12 -175.0 16_556 . . . ?
C15 C10 C11 C12 4.5 . . . . ?
C10 C10 C11 C12 -85.2 20 . . . ?
C9 C10 C11 C11 89(3) . . . 7 ?
C9 C10 C11 C11 -91(3) 16_556 . . 7 ?
C15 C10 C11 C11 89(3) 16_556 . . 7 ?
C15 C10 C11 C11 -91(3) . . . 7 ?
C10 C10 C11 C11 179(100) 20 . . 7 ?
C10 C11 C12 C11 -169.04(12) . . . 7 ?
C12 C11 C12 C11 19.33(12) 16_556 . . 7 ?
C10 C11 C12 C13 -69.0(10) . . . 22 ?
C12 C11 C12 C13 119.4(10) 16_556 . . 22 ?
C11 C11 C12 C13 100.1(10) 7 . . 22 ?
C10 C11 C12 C13 -8.4 . . . . ?
C12 C11 C12 C13 -180.0 16_556 . . . ?
C11 C11 C12 C13 160.67(12) 7 . . . ?
C11 C12 C13 C14 96.7(14) 7 . . . ?
C11 C12 C13 C14 8.2 . . . . ?
C13 C12 C13 C14 169.7 22 . . . ?
C11 C12 C13 C13 -73.0(14) 7 . . 22 ?
C11 C12 C13 C13 -161.5 . . . 22 ?
C11 C12 C13 N1 104.3(19) 7 . . 16_556 ?
C11 C12 C13 N1 15.8(12) . . . 16_556 ?
C13 C12 C13 N1 177.3(12) 22 . . 16_556 ?
C13 C13 C14 N1 172(6) 22 . . 16_556 ?
C12 C13 C14 N1 60(6) . . . 16_556 ?
C13 C13 C14 C15 106.9 22 . . . ?
C12 C13 C14 C15 -4.4 . . . . ?
N1 C13 C14 C15 -65(6) 16_556 . . . ?
C13 C13 C14 C9 106.5 22 . . 16_556 ?
C12 C13 C14 C9 -4.8 . . . 16_556 ?
N1 C13 C14 C9 -65(6) 16_556 . . 16_556 ?
C13 C13 C14 N1 -167.0(8) 22 . . 11 ?
C12 C13 C14 N1 81.8(8) . . . 11 ?
N1 C13 C14 N1 21(5) 16_556 . . 11 ?
N1 C14 C15 C9 156(100) 16_556 . . 16_556 ?
C13 C14 C15 C9 -79(46) . . . 16_556 ?
N1 C14 C15 C9 171(100) 11 . . 16_556 ?
C13 C14 C15 N1 125(6) . . . 16_556 ?
C9 C14 C15 N1 -156(100) 16_556 . . 16_556 ?
N1 C14 C15 N1 15(6) 11 . . 16_556 ?
N1 C14 C15 C6 55(6) 16_556 . . . ?
C13 C14 C15 C6 180.0 . . . . ?
C9 C14 C15 C6 -101(46) 16_556 . . . ?
N1 C14 C15 C6 70.1(8) 11 . . . ?
N1 C14 C15 C10 -125(6) 16_556 . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C9 C14 C15 C10 79(46) 16_556 . . . ?
N1 C14 C15 C10 -109.9(8) 11 . . . ?
N1 C14 C15 C9 -17(6) 16_556 . . 11 ?
C13 C14 C15 C9 107.7(3) . . . 11 ?
C9 C14 C15 C9 -174(100) 16_556 . . 11 ?
N1 C14 C15 C9 -2.3(7) 11 . . 11 ?
N1 C14 C15 C15 -17(6) 16_556 . . 20 ?
C13 C14 C15 C15 107.6 . . . 20 ?
C9 C14 C15 C15 -174(100) 16_556 . . 20 ?
N1 C14 C15 C15 -2.3(8) 11 . . 20 ?
N1 C14 C15 C8 55(6) 16_556 . . 16_556 ?
C13 C14 C15 C8 -179.5 . . . 16_556 ?
C9 C14 C15 C8 -101(46) 16_556 . . 16_556 ?
N1 C14 C15 C8 70.5(8) 11 . . 16_556 ?
N1 C14 C15 C6 35(6) 16_556 . . 20 ?
C13 C14 C15 C6 160.0 . . . 20 ?
C9 C14 C15 C6 -121(46) 16_556 . . 20 ?
N1 C14 C15 C6 50.1(8) 11 . . 20 ?
N1 C14 C15 C8 35(6) 16_556 . . 11 ?
C13 C14 C15 C8 160.24(12) . . . 11 ?
C9 C14 C15 C8 -121(46) 16_556 . . 11 ?
N1 C14 C15 C8 50.3(7) 11 . . 11 ?
C8 C6 C15 C9 1.09(13) 16_556 . . 16_556 ?
C6 C6 C15 C9 92.5(2) 20 . . 16_556 ?
C8 C6 C15 C9 58.5(15) 11 . . 16_556 ?
C5 C6 C15 C9 180(100) . . . 16_556 ?
C7 C6 C15 C9 2.3(2) . . . 16_556 ?
C9 C6 C15 C9 84.1(8) 11 . . 16_556 ?
C15 C6 C15 C9 92.5(2) 20 . . 16_556 ?
C7 C6 C15 C9 2.5(2) 16_556 . . 16_556 ?
C8 C6 C15 N1 -171.9(15) 16_556 . . 16_556 ?
C6 C6 C15 N1 -80.5(15) 20 . . 16_556 ?
C8 C6 C15 N1 -114.5(18) 11 . . 16_556 ?
C5 C6 C15 N1 6.7(15) . . . 16_556 ?
C9 C6 C15 N1 -173.0(15) 16_556 . . 16_556 ?
C7 C6 C15 N1 -170.7(15) . . . 16_556 ?
C9 C6 C15 N1 -88.9(15) 11 . . 16_556 ?
C15 C6 C15 N1 -80.5(15) 20 . . 16_556 ?
C7 C6 C15 N1 -170.5(15) 16_556 . . 16_556 ?
C8 C6 C15 C14 178.29(10) 16_556 . . . ?
C6 C6 C15 C14 -90.3 20 . . . ?
C8 C6 C15 C14 -124.3(13) 11 . . . ?
C5 C6 C15 C14 -3.1 . . . . ?
C9 C6 C15 C14 177.2(2) 16_556 . . . ?
C7 C6 C15 C14 179.5 . . . . ?
C9 C6 C15 C14 -98.7(6) 11 . . . ?
C15 C6 C15 C14 -90.3 20 . . . ?
C7 C6 C15 C14 179.7 16_556 . . . ?
C8 C6 C15 C10 -1.71(10) 16_556 . . . ?
C6 C6 C15 C10 89.7 20 . . . ?
C8 C6 C15 C10 55.7(13) 11 . . . ?
C5 C6 C15 C10 176.9 . . . . ?
C9 C6 C15 C10 -2.8(2) 16_556 . . . ?
C7 C6 C15 C10 -0.5 . . . . ?
C9 C6 C15 C10 81.3(6) 11 . . . ?
C15 C6 C15 C10 89.7 20 . . . ?
C7 C6 C15 C10 -0.3 16_556 . . . ?
C8 C6 C15 C9 -83.0(7) 16_556 . . 11 ?
C6 C6 C15 C9 8.4(6) 20 . . 11 ?
C8 C6 C15 C9 -25.6(7) 11 . . 11 ?
C5 C6 C15 C9 95.6(6) . . . 11 ?
C9 C6 C15 C9 -84.1(8) 16_556 . . 11 ?
C7 C6 C15 C9 -81.8(6) . . . 11 ?
C15 C6 C15 C9 8.4(6) 20 . . 11 ?
C7 C6 C15 C9 -81.6(6) 16_556 . . 11 ?
C8 C6 C15 C15 -91.42(10) 16_556 . . 20 ?
C6 C6 C15 C15 0.0 20 . . 20 ?
C8 C6 C15 C15 -34.0(13) 11 . . 20 ?
C5 C6 C15 C15 87.2 . . . 20 ?
C9 C6 C15 C15 -92.5(2) 16_556 . . 20 ?
C7 C6 C15 C15 -90.2 . . . 20 ?
C9 C6 C15 C15 -8.4(6) 11 . . 20 ?
C7 C6 C15 C15 -90.0 16_556 . . 20 ?
C6 C6 C15 C8 91.42(9) 20 . . 16_556 ?
C8 C6 C15 C8 57.4(14) 11 . . 16_556 ?
C5 C6 C15 C8 178.59(9) . . . 16_556 ?
C9 C6 C15 C8 -1.09(13) 16_556 . . 16_556 ?
C7 C6 C15 C8 1.22(9) . . . 16_556 ?
C9 C6 C15 C8 83.0(7) 11 . . 16_556 ?
C15 C6 C15 C8 91.42(10) 20 . . 16_556 ?
C7 C6 C15 C8 1.40(9) 16_556 . . 16_556 ?
C8 C6 C15 C6 -91.42(10) 16_556 . . 20 ?
C8 C6 C15 C6 -34.0(13) 11 . . 20 ?
C5 C6 C15 C6 87.2 . . . 20 ?
C9 C6 C15 C6 -92.5(2) 16_556 . . 20 ?
C7 C6 C15 C6 -90.2 . . . 20 ?
C9 C6 C15 C6 -8.4(6) 11 . . 20 ?
C15 C6 C15 C6 0.0 20 . . 20 ?
C7 C6 C15 C6 -90.0 16_556 . . 20 ?
C8 C6 C15 C8 -57.4(14) 16_556 . . 11 ?
C6 C6 C15 C8 34.0(13) 20 . . 11 ?
C5 C6 C15 C8 121.2(13) . . . 11 ?
C9 C6 C15 C8 -58.5(15) 16_556 . . 11 ?
C7 C6 C15 C8 -56.2(13) . . . 11 ?
C9 C6 C15 C8 25.6(7) 11 . . 11 ?
C15 C6 C15 C8 34.0(13) 20 . . 11 ?
C7 C6 C15 C8 -56.0(13) 16_556 . . 11 ?
C9 C10 C15 C9 -2.74(11) . . . 16_556 ?
C11 C10 C15 C9 177.25(10) . . . 16_556 ?
C15 C10 C15 C9 -3.29(11) 16_556 . . 16_556 ?
C10 C10 C15 C9 -74.10(11) 20 . . 16_556 ?
C9 C10 C15 N1 169.1(16) . . . 16_556 ?
C9 C10 C15 N1 171.9(16) 16_556 . . 16_556 ?
C11 C10 C15 N1 -10.9(16) . . . 16_556 ?
C15 C10 C15 N1 168.6(16) 16_556 . . 16_556 ?
C10 C10 C15 N1 97.8(16) 20 . . 16_556 ?
C9 C10 C15 C14 -180.0 . . . . ?
C9 C10 C15 C14 -177.25(11) 16_556 . . . ?
C11 C10 C15 C14 0.0 . . . . ?
C15 C10 C15 C14 179.5 16_556 . . . ?
C10 C10 C15 C14 108.7 20 . . . ?
C9 C10 C15 C6 0.0 . . . . ?
C9 C10 C15 C6 2.75(11) 16_556 . . . ?
C11 C10 C15 C6 180.0 . . . . ?
C15 C10 C15 C6 -0.5 16_556 . . . ?
C10 C10 C15 C6 -71.3 20 . . . ?
C9 C10 C15 C9 63.9(2) . . . 11 ?
C9 C10 C15 C9 66.6(3) 16_556 . . 11 ?
C11 C10 C15 C9 -116.1(2) . . . 11 ?
C15 C10 C15 C9 63.3(2) 16_556 . . 11 ?
C10 C10 C15 C9 -7.5(2) 20 . . 11 ?
C9 C10 C15 C15 71.4 . . . 20 ?
C9 C10 C15 C15 74.10(10) 16_556 . . 20 ?
C11 C10 C15 C15 -108.7 . . . 20 ?
C15 C10 C15 C15 70.8 16_556 . . 20 ?
C10 C10 C15 C15 0.0 20 . . 20 ?
C9 C10 C15 C8 -0.3 . . . 16_556 ?
C9 C10 C15 C8 2.40(10) 16_556 . . 16_556 ?
C11 C10 C15 C8 179.6 . . . 16_556 ?
C15 C10 C15 C8 -0.9 16_556 . . 16_556 ?
C10 C10 C15 C8 -71.7 20 . . 16_556 ?
C9 C10 C15 C6 19.2 . . . 20 ?
C9 C10 C15 C6 21.91(10) 16_556 . . 20 ?
C11 C10 C15 C6 -160.8 . . . 20 ?
C15 C10 C15 C6 18.6 16_556 . . 20 ?
C10 C10 C15 C6 -52.2 20 . . 20 ?
C9 C10 C15 C8 15.49(6) . . . 11 ?
C9 C10 C15 C8 18.23(16) 16_556 . . 11 ?
C11 C10 C15 C8 -164.53(6) . . . 11 ?
C15 C10 C15 C8 14.93(6) 16_556 . . 11 ?
C10 C10 C15 C8 -55.87(6) 20 . . 11 ?
C15 C9 N1 C14 -7(11) 16_556 . . 16_556 ?
C6 C9 N1 C14 128(6) 16_556 . . 16_556 ?
C8 C9 N1 C14 130(6) . . . 16_556 ?
C10 C9 N1 C14 -59(7) . . . 16_556 ?
C9 C9 N1 C14 -163(6) 20 . . 16_556 ?
C15 C9 N1 C14 -162(6) 11 . . 16_556 ?
C6 C9 N1 C14 147(6) 11 . . 16_556 ?
C8 C9 N1 C14 148(6) 20 . . 16_556 ?
C6 C9 N1 C15 135(15) 16_556 . . 16_556 ?
C8 C9 N1 C15 137(15) . . . 16_556 ?
C10 C9 N1 C15 -52(15) . . . 16_556 ?
C9 C9 N1 C15 -156(15) 20 . . 16_556 ?
C15 C9 N1 C15 -156(15) 11 . . 16_556 ?
C6 C9 N1 C15 154(15) 11 . . 16_556 ?
C8 C9 N1 C15 155(15) 20 . . 16_556 ?
C14 C9 N1 C15 7(11) 16_556 . . 16_556 ?
C15 C9 N1 C13 36(14) 16_556 . . 16_556 ?
C6 C9 N1 C13 171.0(14) 16_556 . . 16_556 ?
C8 C9 N1 C13 172.8(11) . . . 16_556 ?
C10 C9 N1 C13 -16(2) . . . 16_556 ?
C9 C9 N1 C13 -120.3(17) 20 . . 16_556 ?
C15 C9 N1 C13 -119.8(18) 11 . . 16_556 ?
C6 C9 N1 C13 -170.1(15) 11 . . 16_556 ?
C8 C9 N1 C13 -169.1(12) 20 . . 16_556 ?
C14 C9 N1 C13 43(5) 16_556 . . 16_556 ?
C15 C9 N1 N1 156(15) 16_556 . . 20 ?
C6 C9 N1 N1 -68.7(4) 16_556 . . 20 ?
C8 C9 N1 N1 -66.9(6) . . . 20 ?
C10 C9 N1 N1 103.9(6) . . . 20 ?
C9 C9 N1 N1 0.000(3) 20 . . 20 ?
C15 C9 N1 N1 0.5(3) 11 . . 20 ?
C6 C9 N1 N1 -49.8(3) 11 . . 20 ?
C8 C9 N1 N1 -48.8(5) 20 . . 20 ?
C14 C9 N1 N1 163(6) 16_556 . . 20 ?
C15 C9 N1 C14 154(15) 16_556 . . 11 ?
C6 C9 N1 C14 -71.1(10) 16_556 . . 11 ?
C8 C9 N1 C14 -69.3(12) . . . 11 ?
C10 C9 N1 C14 101.5(8) . . . 11 ?
C9 C9 N1 C14 -2.4(8) 20 . . 11 ?
C15 C9 N1 C14 -2.0(6) 11 . . 11 ?
C6 C9 N1 C14 -52.2(10) 11 . . 11 ?
C8 C9 N1 C14 -51.2(12) 20 . . 11 ?
C14 C9 N1 C14 161(7) 16_556 . . 11 ?

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.034 -0.024 -0.004 4063 1305 ' '
_platon_squeeze_details          
;
;
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.594
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.108
