# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_ja_16
_database_code_depnum_ccdc_archive 'CCDC 1021636'
_audit_update_record             
;
2014-08-28 deposited with the CCDC.
2015-06-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H28 N4 O2'
_chemical_formula_weight         500.58

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.6074(5)
_cell_length_b                   9.9108(5)
_cell_length_c                   15.7203(9)
_cell_angle_alpha                80.998(3)
_cell_angle_beta                 89.343(3)
_cell_angle_gamma                78.842(3)
_cell_volume                     1299.24(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             528
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16672
_diffrn_reflns_av_R_equivalents  0.0152
_diffrn_reflns_av_sigmaI/netI    0.0166
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         27.54
_reflns_number_total             5904
_reflns_number_gt                4820
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0725P)²+0.3344P] 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         5904
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.1422
_refine_ls_wR_factor_gt          0.1324
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
N4 N 0.25559(13) 0.47349(11) 0.21981(7) 0.0344(2) Uani 1 1 d . . .
N3 N 0.37999(14) 0.54783(12) 0.33154(8) 0.0403(3) Uani 1 1 d . . .
H3A H 0.3903 0.5780 0.3792 0.048 Uiso 1 1 calc R . .
N2 N 0.39482(16) 0.12230(13) 0.29781(9) 0.0484(3) Uani 1 1 d . . .
N1 N 0.13133(17) 0.82263(13) 0.21908(9) 0.0515(3) Uani 1 1 d . . .
O2 O 0.27004(13) 0.26650(12) 0.38890(7) 0.0537(3) Uani 1 1 d . . .
O1 O 0.36890(15) 0.73816(12) 0.16079(8) 0.0588(3) Uani 1 1 d . . .
C32 C 0.38552(15) 0.36189(13) 0.25315(8) 0.0339(3) Uani 1 1 d . . .
C31 C 0.24464(16) 0.58783(14) 0.27118(8) 0.0355(3) Uani 1 1 d . . .
C30 C 0.46286(16) 0.27801(14) 0.18720(9) 0.0377(3) Uani 1 1 d . . .
C29 C 0.01172(16) 0.54908(14) 0.13100(9) 0.0377(3) Uani 1 1 d . . .
C28 C 0.34076(16) 0.24803(15) 0.32295(9) 0.0396(3) Uani 1 1 d . . .
C27 C 0.49408(15) 0.44534(14) 0.29338(9) 0.0353(3) Uani 1 1 d . . .
H27A H 0.5451 0.4961 0.2460 0.042 Uiso 1 1 calc R . .
C26 C 0.11069(16) 0.43439(14) 0.19366(9) 0.0394(3) Uani 1 1 d . . .
H26A H 0.0490 0.4129 0.2442 0.047 Uiso 1 1 calc R . .
H26B H 0.1378 0.3512 0.1670 0.047 Uiso 1 1 calc R . .
C25 C 0.08981(16) 0.63336(16) 0.31421(9) 0.0407(3) Uani 1 1 d . . .
C24 C 0.62299(16) 0.35842(14) 0.35387(9) 0.0392(3) Uani 1 1 d . . .
C23 C 0.07902(18) 0.61029(16) 0.05809(10) 0.0449(3) Uani 1 1 d . . .
H23A H 0.1868 0.5837 0.0491 0.054 Uiso 1 1 calc R . .
C22 C 0.26059(18) 0.72307(15) 0.20920(10) 0.0425(3) Uani 1 1 d . . .
C21 C 0.52512(18) 0.31948(18) 0.10858(10) 0.0477(4) Uani 1 1 d . . .
H21A H 0.5217 0.4133 0.0882 0.057 Uiso 1 1 calc R . .
C20 C 0.46825(17) 0.13743(15) 0.21722(10) 0.0449(3) Uani 1 1 d . . .
C19 C 0.75918(18) 0.28904(17) 0.31896(12) 0.0502(4) Uani 1 1 d . . .
H19A H 0.7682 0.2966 0.2595 0.060 Uiso 1 1 calc R . .
C18 C 0.02972(18) 0.77172(17) 0.28173(10) 0.0479(4) Uani 1 1 d . . .
C17 C 0.00915(19) 0.5609(2) 0.37645(10) 0.0517(4) Uani 1 1 d . . .
H17A H 0.0487 0.4679 0.3981 0.062 Uiso 1 1 calc R . .
C16 C 0.6123(2) 0.34365(17) 0.44299(10) 0.0507(4) Uani 1 1 d . . .
H16A H 0.5213 0.3871 0.4677 0.061 Uiso 1 1 calc R . .
C15 C -0.0132(2) 0.71069(17) -0.00139(11) 0.0522(4) Uani 1 1 d . . .
H15A H 0.0333 0.7522 -0.0497 0.063 Uiso 1 1 calc R . .
C14 C -0.1732(2) 0.74943(18) 0.01058(11) 0.0556(4) Uani 1 1 d . . .
H14A H -0.2352 0.8151 -0.0303 0.067 Uiso 1 1 calc R . .
C13 C -0.14877(18) 0.59179(18) 0.14343(11) 0.0491(4) Uani 1 1 d . . .
H13A H -0.1949 0.5534 0.1929 0.059 Uiso 1 1 calc R . .
C12 C -0.2415(2) 0.69078(19) 0.08328(12) 0.0574(4) Uani 1 1 d . . .
H12A H -0.3494 0.7176 0.0919 0.069 Uiso 1 1 calc R . .
C11 C 0.5936(2) 0.2173(2) 0.06019(12) 0.0616(5) Uani 1 1 d . . .
H11A H 0.6361 0.2431 0.0068 0.074 Uiso 1 1 calc R . .
C10 C 0.5360(2) 0.03541(19) 0.16973(14) 0.0633(5) Uani 1 1 d . . .
H10A H 0.5393 -0.0585 0.1899 0.076 Uiso 1 1 calc R . .
C9 C 0.8706(2) 0.19798(19) 0.45975(14) 0.0679(5) Uani 1 1 d . . .
H9A H 0.9538 0.1456 0.4951 0.082 Uiso 1 1 calc R . .
C8 C 0.5984(2) 0.0791(2) 0.09106(14) 0.0690(5) Uani 1 1 d . . .
H8A H 0.6452 0.0127 0.0580 0.083 Uiso 1 1 calc R . .
C7 C 0.7362(2) 0.26480(18) 0.49529(12) 0.0628(5) Uani 1 1 d . . .
H7A H 0.7284 0.2570 0.5548 0.075 Uiso 1 1 calc R . .
C6 C 0.8812(2) 0.2091(2) 0.37182(15) 0.0650(5) Uani 1 1 d . . .
H6A H 0.9710 0.1625 0.3476 0.078 Uiso 1 1 calc R . .
C5 C -0.1896(2) 0.7675(3) 0.37438(16) 0.0824(7) Uani 1 1 d . . .
H5A H -0.2835 0.8123 0.3957 0.099 Uiso 1 1 calc R . .
C4 C -0.1108(2) 0.8419(2) 0.31106(15) 0.0711(6) Uani 1 1 d . . .
H4A H -0.1509 0.9348 0.2894 0.085 Uiso 1 1 calc R . .
C3 C 0.3757(3) -0.00817(19) 0.34936(15) 0.0721(6) Uani 1 1 d . . .
H3B H 0.3211 0.0103 0.4011 0.108 Uiso 1 1 calc R . .
H3C H 0.4780 -0.0656 0.3640 0.108 Uiso 1 1 calc R . .
H3D H 0.3154 -0.0555 0.3171 0.108 Uiso 1 1 calc R . .
C2 C -0.1325(2) 0.6302(3) 0.40599(13) 0.0712(6) Uani 1 1 d . . .
H2A H -0.1887 0.5830 0.4475 0.085 Uiso 1 1 calc R . .
C1 C 0.0970(3) 0.9574(2) 0.16464(16) 0.0809(6) Uani 1 1 d . . .
H1A H 0.1846 0.9679 0.1275 0.121 Uiso 1 1 calc R . .
H1B H 0.0802 1.0295 0.1999 0.121 Uiso 1 1 calc R . .
H1C H 0.0034 0.9640 0.1304 0.121 Uiso 1 1 calc R . .


_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
N4 C32 1.4498(17) . ?
N4 C26 1.4572(17) . ?
N4 C31 1.4794(16) . ?
N3 C31 1.4641(17) . ?
N3 C27 1.4653(17) . ?
N3 H3A 0.8600 . ?
N2 C28 1.3604(19) . ?
N2 C20 1.409(2) . ?
N2 C3 1.452(2) . ?
N1 C22 1.362(2) . ?
N1 C18 1.409(2) . ?
N1 C1 1.449(2) . ?
O2 C28 1.2169(18) . ?
O1 C22 1.2136(18) . ?
C32 C30 1.4995(18) . ?
C32 C28 1.5482(19) . ?
C32 C27 1.5600(18) . ?
C31 C25 1.5097(19) . ?
C31 C22 1.5569(19) . ?
C30 C21 1.377(2) . ?
C30 C20 1.391(2) . ?
C29 C13 1.385(2) . ?
C29 C23 1.386(2) . ?
C29 C26 1.5107(19) . ?
C27 C24 1.5084(19) . ?
C27 H27A 0.9800 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C25 C17 1.383(2) . ?
C25 C18 1.386(2) . ?
C24 C16 1.390(2) . ?
C24 C19 1.393(2) . ?
C23 C15 1.384(2) . ?
C23 H23A 0.9300 . ?
C21 C11 1.397(2) . ?
C21 H21A 0.9300 . ?
C20 C10 1.385(2) . ?
C19 C6 1.384(2) . ?
C19 H19A 0.9300 . ?
C18 C4 1.386(2) . ?
C17 C2 1.392(2) . ?
C17 H17A 0.9300 . ?
C16 C7 1.385(2) . ?
C16 H16A 0.9300 . ?
C15 C14 1.376(2) . ?
C15 H15A 0.9300 . ?
C14 C12 1.378(3) . ?
C14 H14A 0.9300 . ?
C13 C12 1.385(2) . ?
C13 H13A 0.9300 . ?
C12 H12A 0.9300 . ?
C11 C8 1.373(3) . ?
C11 H11A 0.9300 . ?
C10 C8 1.383(3) . ?
C10 H10A 0.9300 . ?
C9 C6 1.373(3) . ?
C9 C7 1.376(3) . ?
C9 H9A 0.9300 . ?
C8 H8A 0.9300 . ?
C7 H7A 0.9300 . ?
C6 H6A 0.9300 . ?
C5 C2 1.369(3) . ?
C5 C4 1.394(3) . ?
C5 H5A 0.9300 . ?
C4 H4A 0.9300 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 H3D 0.9600 . ?
C2 H2A 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C32 N4 C26 117.39(10) . . ?
C32 N4 C31 109.25(10) . . ?
C26 N4 C31 119.24(11) . . ?
C31 N3 C27 105.20(10) . . ?
C31 N3 H3A 127.4 . . ?
C27 N3 H3A 127.4 . . ?
C28 N2 C20 111.33(12) . . ?
C28 N2 C3 122.62(15) . . ?
C20 N2 C3 126.05(15) . . ?
C22 N1 C18 111.24(12) . . ?
C22 N1 C1 123.21(16) . . ?
C18 N1 C1 125.21(16) . . ?
N4 C32 C30 114.46(11) . . ?
N4 C32 C28 115.32(11) . . ?
C30 C32 C28 102.08(11) . . ?
N4 C32 C27 100.51(10) . . ?
C30 C32 C27 114.97(11) . . ?
C28 C32 C27 109.99(11) . . ?
N3 C31 N4 106.02(10) . . ?
N3 C31 C25 113.07(11) . . ?
N4 C31 C25 117.94(11) . . ?
N3 C31 C22 109.38(11) . . ?
N4 C31 C22 108.31(11) . . ?
C25 C31 C22 101.83(11) . . ?
C21 C30 C20 120.42(14) . . ?
C21 C30 C32 130.53(13) . . ?
C20 C30 C32 109.04(12) . . ?
C13 C29 C23 118.64(14) . . ?
C13 C29 C26 120.91(13) . . ?
C23 C29 C26 120.41(13) . . ?
O2 C28 N2 125.57(14) . . ?
O2 C28 C32 126.51(13) . . ?
N2 C28 C32 107.92(12) . . ?
N3 C27 C24 115.32(11) . . ?
N3 C27 C32 102.78(10) . . ?
C24 C27 C32 115.24(11) . . ?
N3 C27 H27A 107.7 . . ?
C24 C27 H27A 107.7 . . ?
C32 C27 H27A 107.7 . . ?
N4 C26 C29 111.91(11) . . ?
N4 C26 H26A 109.2 . . ?
C29 C26 H26A 109.2 . . ?
N4 C26 H26B 109.2 . . ?
C29 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C17 C25 C18 120.47(14) . . ?
C17 C25 C31 130.66(14) . . ?
C18 C25 C31 108.86(13) . . ?
C16 C24 C19 118.23(14) . . ?
C16 C24 C27 123.16(13) . . ?
C19 C24 C27 118.60(13) . . ?
C15 C23 C29 120.42(14) . . ?
C15 C23 H23A 119.8 . . ?
C29 C23 H23A 119.8 . . ?
O1 C22 N1 125.70(14) . . ?
O1 C22 C31 126.42(14) . . ?
N1 C22 C31 107.88(12) . . ?
C30 C21 C11 118.44(16) . . ?
C30 C21 H21A 120.8 . . ?
C11 C21 H21A 120.8 . . ?
C10 C20 C30 121.55(16) . . ?
C10 C20 N2 128.88(15) . . ?
C30 C20 N2 109.56(13) . . ?
C6 C19 C24 120.72(17) . . ?
C6 C19 H19A 119.6 . . ?
C24 C19 H19A 119.6 . . ?
C25 C18 C4 121.40(17) . . ?
C25 C18 N1 110.17(13) . . ?
C4 C18 N1 128.43(16) . . ?
C25 C17 C2 118.57(18) . . ?
C25 C17 H17A 120.7 . . ?
C2 C17 H17A 120.7 . . ?
C7 C16 C24 120.54(16) . . ?
C7 C16 H16A 119.7 . . ?
C24 C16 H16A 119.7 . . ?
C14 C15 C23 120.33(16) . . ?
C14 C15 H15A 119.8 . . ?
C23 C15 H15A 119.8 . . ?
C15 C14 C12 119.92(16) . . ?
C15 C14 H14A 120.0 . . ?
C12 C14 H14A 120.0 . . ?
C12 C13 C29 120.93(15) . . ?
C12 C13 H13A 119.5 . . ?
C29 C13 H13A 119.5 . . ?
C14 C12 C13 119.73(15) . . ?
C14 C12 H12A 120.1 . . ?
C13 C12 H12A 120.1 . . ?
C8 C11 C21 120.29(17) . . ?
C8 C11 H11A 119.9 . . ?
C21 C11 H11A 119.9 . . ?
C8 C10 C20 117.18(17) . . ?
C8 C10 H10A 121.4 . . ?
C20 C10 H10A 121.4 . . ?
C6 C9 C7 119.58(17) . . ?
C6 C9 H9A 120.2 . . ?
C7 C9 H9A 120.2 . . ?
C11 C8 C10 122.11(16) . . ?
C11 C8 H8A 118.9 . . ?
C10 C8 H8A 118.9 . . ?
C9 C7 C16 120.49(17) . . ?
C9 C7 H7A 119.8 . . ?
C16 C7 H7A 119.8 . . ?
C9 C6 C19 120.41(18) . . ?
C9 C6 H6A 119.8 . . ?
C19 C6 H6A 119.8 . . ?
C2 C5 C4 121.79(18) . . ?
C2 C5 H5A 119.1 . . ?
C4 C5 H5A 119.1 . . ?
C18 C4 C5 117.28(19) . . ?
C18 C4 H4A 121.4 . . ?
C5 C4 H4A 121.4 . . ?
N2 C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N2 C3 H3D 109.5 . . ?
H3B C3 H3D 109.5 . . ?
H3C C3 H3D 109.5 . . ?
C5 C2 C17 120.48(19) . . ?
C5 C2 H2A 119.8 . . ?
C17 C2 H2A 119.8 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?

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
C26 N4 C32 C30 69.68(15) . . . . ?
C31 N4 C32 C30 -150.52(11) . . . . ?
C26 N4 C32 C28 -48.33(15) . . . . ?
C31 N4 C32 C28 91.47(13) . . . . ?
C26 N4 C32 C27 -166.53(11) . . . . ?
C31 N4 C32 C27 -26.73(13) . . . . ?
C27 N3 C31 N4 21.09(13) . . . . ?
C27 N3 C31 C25 151.80(11) . . . . ?
C27 N3 C31 C22 -95.49(12) . . . . ?
C32 N4 C31 N3 4.90(14) . . . . ?
C26 N4 C31 N3 143.84(11) . . . . ?
C32 N4 C31 C25 -122.96(12) . . . . ?
C26 N4 C31 C25 15.98(17) . . . . ?
C32 N4 C31 C22 122.20(12) . . . . ?
C26 N4 C31 C22 -98.86(13) . . . . ?
N4 C32 C30 C21 53.00(19) . . . . ?
C28 C32 C30 C21 178.30(14) . . . . ?
C27 C32 C30 C21 -62.66(19) . . . . ?
N4 C32 C30 C20 -127.92(12) . . . . ?
C28 C32 C30 C20 -2.62(14) . . . . ?
C27 C32 C30 C20 116.42(13) . . . . ?
C20 N2 C28 O2 178.56(14) . . . . ?
C3 N2 C28 O2 -1.1(2) . . . . ?
C20 N2 C28 C32 -1.55(16) . . . . ?
C3 N2 C28 C32 178.80(14) . . . . ?
N4 C32 C28 O2 -52.87(18) . . . . ?
C30 C32 C28 O2 -177.60(14) . . . . ?
C27 C32 C28 O2 59.90(18) . . . . ?
N4 C32 C28 N2 127.24(12) . . . . ?
C30 C32 C28 N2 2.51(14) . . . . ?
C27 C32 C28 N2 -119.99(12) . . . . ?
C31 N3 C27 C24 -163.53(11) . . . . ?
C31 N3 C27 C32 -37.29(13) . . . . ?
N4 C32 C27 N3 39.06(12) . . . . ?
C30 C32 C27 N3 162.49(11) . . . . ?
C28 C32 C27 N3 -82.97(12) . . . . ?
N4 C32 C27 C24 165.34(11) . . . . ?
C30 C32 C27 C24 -71.22(15) . . . . ?
C28 C32 C27 C24 43.31(15) . . . . ?
C32 N4 C26 C29 -158.26(11) . . . . ?
C31 N4 C26 C29 66.03(15) . . . . ?
C13 C29 C26 N4 -131.17(14) . . . . ?
C23 C29 C26 N4 51.16(17) . . . . ?
N3 C31 C25 C17 -62.6(2) . . . . ?
N4 C31 C25 C17 61.9(2) . . . . ?
C22 C31 C25 C17 -179.82(15) . . . . ?
N3 C31 C25 C18 117.00(13) . . . . ?
N4 C31 C25 C18 -118.57(14) . . . . ?
C22 C31 C25 C18 -0.24(15) . . . . ?
N3 C27 C24 C16 18.57(19) . . . . ?
C32 C27 C24 C16 -101.01(16) . . . . ?
N3 C27 C24 C19 -161.68(13) . . . . ?
C32 C27 C24 C19 78.73(16) . . . . ?
C13 C29 C23 C15 -0.8(2) . . . . ?
C26 C29 C23 C15 176.92(14) . . . . ?
C18 N1 C22 O1 -178.78(15) . . . . ?
C1 N1 C22 O1 7.6(3) . . . . ?
C18 N1 C22 C31 0.90(17) . . . . ?
C1 N1 C22 C31 -172.74(16) . . . . ?
N3 C31 C22 O1 59.41(18) . . . . ?
N4 C31 C22 O1 -55.71(18) . . . . ?
C25 C31 C22 O1 179.28(15) . . . . ?
N3 C31 C22 N1 -120.27(12) . . . . ?
N4 C31 C22 N1 124.61(12) . . . . ?
C25 C31 C22 N1 -0.39(14) . . . . ?
C20 C30 C21 C11 -0.1(2) . . . . ?
C32 C30 C21 C11 178.87(15) . . . . ?
C21 C30 C20 C10 0.2(2) . . . . ?
C32 C30 C20 C10 -179.02(14) . . . . ?
C21 C30 C20 N2 -178.93(13) . . . . ?
C32 C30 C20 N2 1.89(16) . . . . ?
C28 N2 C20 C10 -179.17(16) . . . . ?
C3 N2 C20 C10 0.5(3) . . . . ?
C28 N2 C20 C30 -0.17(17) . . . . ?
C3 N2 C20 C30 179.46(16) . . . . ?
C16 C24 C19 C6 -0.8(2) . . . . ?
C27 C24 C19 C6 179.43(15) . . . . ?
C17 C25 C18 C4 0.8(2) . . . . ?
C31 C25 C18 C4 -178.79(15) . . . . ?
C17 C25 C18 N1 -179.58(14) . . . . ?
C31 C25 C18 N1 0.79(17) . . . . ?
C22 N1 C18 C25 -1.09(18) . . . . ?
C1 N1 C18 C25 172.40(17) . . . . ?
C22 N1 C18 C4 178.45(17) . . . . ?
C1 N1 C18 C4 -8.1(3) . . . . ?
C18 C25 C17 C2 -0.5(2) . . . . ?
C31 C25 C17 C2 179.05(15) . . . . ?
C19 C24 C16 C7 1.7(2) . . . . ?
C27 C24 C16 C7 -178.58(14) . . . . ?
C29 C23 C15 C14 -0.9(2) . . . . ?
C23 C15 C14 C12 1.7(3) . . . . ?
C23 C29 C13 C12 1.8(2) . . . . ?
C26 C29 C13 C12 -175.94(15) . . . . ?
C15 C14 C12 C13 -0.8(3) . . . . ?
C29 C13 C12 C14 -1.0(3) . . . . ?
C30 C21 C11 C8 -0.2(3) . . . . ?
C30 C20 C10 C8 0.1(3) . . . . ?
N2 C20 C10 C8 178.98(16) . . . . ?
C21 C11 C8 C10 0.4(3) . . . . ?
C20 C10 C8 C11 -0.4(3) . . . . ?
C6 C9 C7 C16 -0.4(3) . . . . ?
C24 C16 C7 C9 -1.1(3) . . . . ?
C7 C9 C6 C19 1.3(3) . . . . ?
C24 C19 C6 C9 -0.7(3) . . . . ?
C25 C18 C4 C5 -0.2(3) . . . . ?
N1 C18 C4 C5 -179.70(18) . . . . ?
C2 C5 C4 C18 -0.8(3) . . . . ?
C4 C5 C2 C17 1.1(4) . . . . ?
C25 C17 C2 C5 -0.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.54
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.042
