# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_final
_database_code_depnum_ccdc_archive 'CCDC 885083'
_audit_update_record             
;
2012-06-05 deposited with the CCDC.	2022-05-23 downloaded from the CCDC.
;
#TrackingRef 'final.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H22 N2 O3'
_chemical_formula_sum            'C30 H22 N2 O3'
_chemical_formula_weight         458.50

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
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   9.2325(6)
_cell_length_b                   10.3765(7)
_cell_length_c                   12.0442(8)
_cell_angle_alpha                77.914(4)
_cell_angle_beta                 82.549(4)
_cell_angle_gamma                81.437(4)
_cell_volume                     1109.89(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1223
_cell_measurement_theta_min      1.74
_cell_measurement_theta_max      28.41

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             480
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_T_max  0.982
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'

_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 APEXII area-detector diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20360
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         28.41
_reflns_number_total             5529
_reflns_number_gt                4018
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2009)'

_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)+(0.0502P)²+0.2237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0077(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5529
_refine_ls_number_parameters     318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.1217
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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
C1 C 0.2668(2) 0.7128(2) 0.18683(14) 0.0819(6) Uani 1 1 d . . .
H1 H 0.2224 0.7903 0.1438 0.098 Uiso 1 1 calc R . .
C2 C 0.3842(3) 0.6382(3) 0.13730(17) 0.0988(9) Uani 1 1 d . . .
H2 H 0.4171 0.6654 0.0608 0.119 Uiso 1 1 calc R . .
C3 C 0.4528(2) 0.5250(3) 0.19907(18) 0.0902(7) Uani 1 1 d . . .
H3 H 0.5306 0.4756 0.1635 0.108 Uiso 1 1 calc R . .
C4 C 0.4080(2) 0.4821(2) 0.31457(15) 0.0676(5) Uani 1 1 d . . .
C5 C 0.28635(17) 0.55754(17) 0.36646(12) 0.0523(4) Uani 1 1 d . . .
C6 C 0.2142(2) 0.67268(18) 0.30144(12) 0.0582(4) Uani 1 1 d . . .
C7 C 0.0880(2) 0.74125(16) 0.35434(12) 0.0582(4) Uani 1 1 d . . .
H7 H 0.0369 0.8148 0.3112 0.070 Uiso 1 1 calc R . .
C8 C 0.04026(17) 0.70243(14) 0.46555(11) 0.0486(3) Uani 1 1 d . . .
H8 H -0.0449 0.7479 0.4964 0.058 Uiso 1 1 calc R . .
C9 C 0.11755(15) 0.59295(13) 0.53715(10) 0.0398(3) Uani 1 1 d . . .
C10 C 0.23958(15) 0.51796(14) 0.48477(11) 0.0443(3) Uani 1 1 d . . .
C11 C 0.31734(17) 0.40622(15) 0.55011(13) 0.0521(4) Uani 1 1 d . . .
C12 C 0.4388(2) 0.33287(19) 0.49427(18) 0.0717(5) Uani 1 1 d . . .
H12 H 0.4899 0.2586 0.5365 0.086 Uiso 1 1 calc R . .
C13 C 0.4803(2) 0.3689(2) 0.38273(19) 0.0808(6) Uani 1 1 d . . .
H13 H 0.5588 0.3183 0.3491 0.097 Uiso 1 1 calc R . .
C14 C 0.27459(18) 0.37265(15) 0.66651(13) 0.0560(4) Uani 1 1 d . . .
H14 H 0.3247 0.2990 0.7102 0.067 Uiso 1 1 calc R . .
C15 C 0.15950(17) 0.44655(14) 0.71796(12) 0.0491(3) Uani 1 1 d . . .
H15 H 0.1346 0.4230 0.7962 0.059 Uiso 1 1 calc R . .
C16 C 0.07962(15) 0.55559(13) 0.65576(10) 0.0402(3) Uani 1 1 d . . .
C17 C -0.04417(15) 0.63542(12) 0.71463(10) 0.0391(3) Uani 1 1 d . . .
H17 H -0.1235 0.6638 0.6647 0.047 Uiso 1 1 calc R . .
C18 C -0.15839(16) 0.63286(14) 0.89686(11) 0.0466(3) Uani 1 1 d . . .
C19 C -0.13607(15) 0.77943(13) 0.84557(10) 0.0413(3) Uani 1 1 d . . .
C20 C -0.00704(14) 0.75828(12) 0.75455(10) 0.0363(3) Uani 1 1 d . . .
C21 C 0.12823(16) 0.73286(15) 0.82193(11) 0.0469(3) Uani 1 1 d . . .
H21A H 0.1684 0.6397 0.8335 0.056 Uiso 1 1 calc R . .
H21B H 0.2042 0.7856 0.7816 0.056 Uiso 1 1 calc R . .
C22 C 0.07228(19) 0.77381(16) 0.93597(12) 0.0552(4) Uani 1 1 d . . .
H22A H 0.0660 0.6963 0.9967 0.066 Uiso 1 1 calc R . .
H22B H 0.1371 0.8296 0.9551 0.066 Uiso 1 1 calc R . .
C23 C -0.1614(2) 0.87171(18) 1.02434(13) 0.0698(5) Uani 1 1 d . . .
H23A H -0.2524 0.9254 1.0062 0.105 Uiso 1 1 calc R . .
H23B H -0.1077 0.9173 1.0640 0.105 Uiso 1 1 calc R . .
H23C H -0.1816 0.7886 1.0720 0.105 Uiso 1 1 calc R . .
C24 C 0.00134(14) 0.87563(12) 0.65607(10) 0.0378(3) Uani 1 1 d . . .
C25 C -0.26573(15) 0.92836(13) 0.68748(12) 0.0447(3) Uani 1 1 d . . .
C26 C -0.27500(15) 0.85170(14) 0.79758(12) 0.0457(3) Uani 1 1 d . . .
C27 C -0.41378(18) 0.84403(17) 0.85742(14) 0.0615(4) Uani 1 1 d . . .
H27 H -0.4228 0.7929 0.9307 0.074 Uiso 1 1 calc R . .
C28 C -0.53803(19) 0.9110(2) 0.80972(18) 0.0740(5) Uani 1 1 d . . .
H28 H -0.6298 0.9066 0.8516 0.089 Uiso 1 1 calc R . .
C29 C -0.52703(19) 0.9845(2) 0.70025(19) 0.0741(5) Uani 1 1 d . . .
H29 H -0.6114 1.0284 0.6679 0.089 Uiso 1 1 calc R . .
C30 C -0.39128(18) 0.99294(17) 0.63879(15) 0.0615(4) Uani 1 1 d . . .
H30 H -0.3838 1.0419 0.5646 0.074 Uiso 1 1 calc R . .
N1 N -0.07369(14) 0.84725(12) 0.91923(9) 0.0492(3) Uani 1 1 d . . .
N2 N -0.12793(12) 0.94248(11) 0.62559(9) 0.0446(3) Uani 1 1 d . . .
H2A H -0.1259 0.9992 0.5623 0.053 Uiso 1 1 calc R . .
O1 O -0.10089(11) 0.55540(9) 0.82110(8) 0.0485(3) Uani 1 1 d . . .
O2 O -0.21428(14) 0.58796(11) 0.98921(8) 0.0654(3) Uani 1 1 d . . .
O3 O 0.11899(10) 0.90378(10) 0.60379(8) 0.0495(3) Uani 1 1 d . . .


_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
C1 C2 1.380(4) . ?
C1 C6 1.400(2) . ?
C1 H1 0.9300 . ?
C2 C3 1.367(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(3) . ?
C3 H3 0.9300 . ?
C4 C13 1.416(3) . ?
C4 C5 1.423(2) . ?
C5 C6 1.411(2) . ?
C5 C10 1.4261(18) . ?
C6 C7 1.421(3) . ?
C7 C8 1.3508(19) . ?
C7 H7 0.9300 . ?
C8 C9 1.4323(19) . ?
C8 H8 0.9300 . ?
C9 C16 1.4115(17) . ?
C9 C10 1.4258(19) . ?
C10 C11 1.413(2) . ?
C11 C14 1.391(2) . ?
C11 C12 1.433(2) . ?
C12 C13 1.338(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.374(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.3875(19) . ?
C15 H15 0.9300 . ?
C16 C17 1.4997(19) . ?
C17 O1 1.4552(14) . ?
C17 C20 1.5503(17) . ?
C17 H17 0.9800 . ?
C18 O2 1.1942(15) . ?
C18 O1 1.3472(17) . ?
C18 C19 1.5505(18) . ?
C19 N1 1.4591(18) . ?
C19 C26 1.505(2) . ?
C19 C20 1.5340(17) . ?
C20 C24 1.5150(16) . ?
C20 C21 1.5372(18) . ?
C21 C22 1.526(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 N1 1.462(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 N1 1.4595(19) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O3 1.2255(14) . ?
C24 N2 1.3420(17) . ?
C25 C30 1.385(2) . ?
C25 C26 1.3955(19) . ?
C25 N2 1.3998(16) . ?
C26 C27 1.3908(19) . ?
C27 C28 1.377(3) . ?
C27 H27 0.9300 . ?
C28 C29 1.378(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.375(2) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
N2 H2A 0.8600 . ?

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
C2 C1 C6 120.4(2) . . ?
C2 C1 H1 119.8 . . ?
C6 C1 H1 119.8 . . ?
C3 C2 C1 120.96(18) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 121.2(2) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C13 122.9(2) . . ?
C3 C4 C5 118.4(2) . . ?
C13 C4 C5 118.68(16) . . ?
C6 C5 C4 120.02(15) . . ?
C6 C5 C10 120.15(15) . . ?
C4 C5 C10 119.82(16) . . ?
C1 C6 C5 118.95(18) . . ?
C1 C6 C7 122.57(18) . . ?
C5 C6 C7 118.45(13) . . ?
C8 C7 C6 121.76(15) . . ?
C8 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C7 C8 C9 121.58(15) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C16 C9 C10 118.58(12) . . ?
C16 C9 C8 123.76(13) . . ?
C10 C9 C8 117.65(12) . . ?
C11 C10 C5 119.54(14) . . ?
C11 C10 C9 120.36(12) . . ?
C5 C10 C9 120.08(14) . . ?
C14 C11 C10 118.81(13) . . ?
C14 C11 C12 122.45(16) . . ?
C10 C11 C12 118.73(15) . . ?
C13 C12 C11 121.45(19) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C4 121.75(17) . . ?
C12 C13 H13 119.1 . . ?
C4 C13 H13 119.1 . . ?
C15 C14 C11 121.06(14) . . ?
C15 C14 H14 119.5 . . ?
C11 C14 H14 119.5 . . ?
C14 C15 C16 121.45(13) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C15 C16 C9 119.70(13) . . ?
C15 C16 C17 120.20(11) . . ?
C9 C16 C17 120.09(12) . . ?
O1 C17 C16 110.31(10) . . ?
O1 C17 C20 102.29(9) . . ?
C16 C17 C20 117.22(11) . . ?
O1 C17 H17 108.9 . . ?
C16 C17 H17 108.9 . . ?
C20 C17 H17 108.9 . . ?
O2 C18 O1 121.89(13) . . ?
O2 C18 C19 128.30(13) . . ?
O1 C18 C19 109.79(10) . . ?
N1 C19 C26 115.07(11) . . ?
N1 C19 C20 102.43(10) . . ?
C26 C19 C20 113.93(10) . . ?
N1 C19 C18 115.16(11) . . ?
C26 C19 C18 109.32(11) . . ?
C20 C19 C18 99.84(10) . . ?
C24 C20 C19 113.31(11) . . ?
C24 C20 C21 112.08(10) . . ?
C19 C20 C21 103.23(10) . . ?
C24 C20 C17 111.04(10) . . ?
C19 C20 C17 101.47(9) . . ?
C21 C20 C17 115.07(11) . . ?
C22 C21 C20 105.36(12) . . ?
C22 C21 H21A 110.7 . . ?
C20 C21 H21A 110.7 . . ?
C22 C21 H21B 110.7 . . ?
C20 C21 H21B 110.7 . . ?
H21A C21 H21B 108.8 . . ?
N1 C22 C21 104.90(11) . . ?
N1 C22 H22A 110.8 . . ?
C21 C22 H22A 110.8 . . ?
N1 C22 H22B 110.8 . . ?
C21 C22 H22B 110.8 . . ?
H22A C22 H22B 108.8 . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O3 C24 N2 121.96(11) . . ?
O3 C24 C20 121.88(12) . . ?
N2 C24 C20 116.06(10) . . ?
C30 C25 C26 120.88(13) . . ?
C30 C25 N2 119.18(13) . . ?
C26 C25 N2 119.93(13) . . ?
C27 C26 C25 117.99(15) . . ?
C27 C26 C19 122.94(13) . . ?
C25 C26 C19 119.06(11) . . ?
C28 C27 C26 120.93(16) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 120.27(15) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C28 120.00(18) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 119.88(16) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
C19 N1 C23 118.25(13) . . ?
C19 N1 C22 105.02(11) . . ?
C23 N1 C22 114.27(13) . . ?
C24 N2 C25 125.94(11) . . ?
C24 N2 H2A 117.0 . . ?
C25 N2 H2A 117.0 . . ?
C18 O1 C17 110.63(10) . . ?

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
C6 C1 C2 C3 -0.9(3) . . . . ?
C1 C2 C3 C4 -1.0(3) . . . . ?
C2 C3 C4 C13 -176.98(19) . . . . ?
C2 C3 C4 C5 1.5(3) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
C13 C4 C5 C6 178.46(15) . . . . ?
C3 C4 C5 C10 -178.78(14) . . . . ?
C13 C4 C5 C10 -0.3(2) . . . . ?
C2 C1 C6 C5 2.3(3) . . . . ?
C2 C1 C6 C7 -175.88(17) . . . . ?
C4 C5 C6 C1 -1.8(2) . . . . ?
C10 C5 C6 C1 176.96(14) . . . . ?
C4 C5 C6 C7 176.45(14) . . . . ?
C10 C5 C6 C7 -4.8(2) . . . . ?
C1 C6 C7 C8 -178.85(15) . . . . ?
C5 C6 C7 C8 3.0(2) . . . . ?
C6 C7 C8 C9 2.3(2) . . . . ?
C7 C8 C9 C16 174.38(13) . . . . ?
C7 C8 C9 C10 -5.7(2) . . . . ?
C6 C5 C10 C11 -176.91(13) . . . . ?
C4 C5 C10 C11 1.8(2) . . . . ?
C6 C5 C10 C9 1.4(2) . . . . ?
C4 C5 C10 C9 -179.82(13) . . . . ?
C16 C9 C10 C11 2.01(19) . . . . ?
C8 C9 C10 C11 -177.95(12) . . . . ?
C16 C9 C10 C5 -176.33(12) . . . . ?
C8 C9 C10 C5 3.72(19) . . . . ?
C5 C10 C11 C14 177.01(13) . . . . ?
C9 C10 C11 C14 -1.3(2) . . . . ?
C5 C10 C11 C12 -2.0(2) . . . . ?
C9 C10 C11 C12 179.62(14) . . . . ?
C14 C11 C12 C13 -178.30(17) . . . . ?
C10 C11 C12 C13 0.7(3) . . . . ?
C11 C12 C13 C4 0.9(3) . . . . ?
C3 C4 C13 C12 177.34(19) . . . . ?
C5 C4 C13 C12 -1.1(3) . . . . ?
C10 C11 C14 C15 -0.3(2) . . . . ?
C12 C11 C14 C15 178.67(15) . . . . ?
C11 C14 C15 C16 1.3(2) . . . . ?
C14 C15 C16 C9 -0.6(2) . . . . ?
C14 C15 C16 C17 -179.18(13) . . . . ?
C10 C9 C16 C15 -1.03(19) . . . . ?
C8 C9 C16 C15 178.92(13) . . . . ?
C10 C9 C16 C17 177.52(11) . . . . ?
C8 C9 C16 C17 -2.5(2) . . . . ?
C15 C16 C17 O1 -23.45(17) . . . . ?
C9 C16 C17 O1 158.01(11) . . . . ?
C15 C16 C17 C20 93.01(15) . . . . ?
C9 C16 C17 C20 -85.53(15) . . . . ?
O2 C18 C19 N1 48.0(2) . . . . ?
O1 C18 C19 N1 -130.66(13) . . . . ?
O2 C18 C19 C26 -83.34(19) . . . . ?
O1 C18 C19 C26 97.99(13) . . . . ?
O2 C18 C19 C20 156.85(16) . . . . ?
O1 C18 C19 C20 -21.82(14) . . . . ?
N1 C19 C20 C24 -86.48(12) . . . . ?
C26 C19 C20 C24 38.45(15) . . . . ?
C18 C19 C20 C24 154.83(11) . . . . ?
N1 C19 C20 C21 34.96(12) . . . . ?
C26 C19 C20 C21 159.89(11) . . . . ?
C18 C19 C20 C21 -83.73(12) . . . . ?
N1 C19 C20 C17 154.42(10) . . . . ?
C26 C19 C20 C17 -80.65(12) . . . . ?
C18 C19 C20 C17 35.73(12) . . . . ?
O1 C17 C20 C24 -159.43(10) . . . . ?
C16 C17 C20 C24 79.81(14) . . . . ?
O1 C17 C20 C19 -38.72(12) . . . . ?
C16 C17 C20 C19 -159.49(11) . . . . ?
O1 C17 C20 C21 71.93(12) . . . . ?
C16 C17 C20 C21 -48.84(14) . . . . ?
C24 C20 C21 C22 109.00(12) . . . . ?
C19 C20 C21 C22 -13.27(13) . . . . ?
C17 C20 C21 C22 -122.87(12) . . . . ?
C20 C21 C22 N1 -13.10(14) . . . . ?
C19 C20 C24 O3 148.79(12) . . . . ?
C21 C20 C24 O3 32.46(17) . . . . ?
C17 C20 C24 O3 -97.78(14) . . . . ?
C19 C20 C24 N2 -34.66(15) . . . . ?
C21 C20 C24 N2 -150.99(11) . . . . ?
C17 C20 C24 N2 78.77(14) . . . . ?
C30 C25 C26 C27 -1.1(2) . . . . ?
N2 C25 C26 C27 177.86(14) . . . . ?
C30 C25 C26 C19 177.91(14) . . . . ?
N2 C25 C26 C19 -3.2(2) . . . . ?
N1 C19 C26 C27 -83.68(16) . . . . ?
C20 C19 C26 C27 158.44(13) . . . . ?
C18 C19 C26 C27 47.72(18) . . . . ?
N1 C19 C26 C25 97.41(14) . . . . ?
C20 C19 C26 C25 -20.47(17) . . . . ?
C18 C19 C26 C25 -131.19(13) . . . . ?
C25 C26 C27 C28 -0.5(2) . . . . ?
C19 C26 C27 C28 -179.45(15) . . . . ?
C26 C27 C28 C29 1.6(3) . . . . ?
C27 C28 C29 C30 -1.0(3) . . . . ?
C28 C29 C30 C25 -0.5(3) . . . . ?
C26 C25 C30 C29 1.6(3) . . . . ?
N2 C25 C30 C29 -177.33(16) . . . . ?
C26 C19 N1 C23 62.24(16) . . . . ?
C20 C19 N1 C23 -173.59(13) . . . . ?
C18 C19 N1 C23 -66.32(17) . . . . ?
C26 C19 N1 C22 -168.90(10) . . . . ?
C20 C19 N1 C22 -44.73(12) . . . . ?
C18 C19 N1 C22 62.54(14) . . . . ?
C21 C22 N1 C19 36.28(13) . . . . ?
C21 C22 N1 C23 167.47(13) . . . . ?
O3 C24 N2 C25 -171.83(13) . . . . ?
C20 C24 N2 C25 11.62(19) . . . . ?
C30 C25 N2 C24 -172.54(14) . . . . ?
C26 C25 N2 C24 8.5(2) . . . . ?
O2 C18 O1 C17 178.25(14) . . . . ?
C19 C18 O1 C17 -2.98(16) . . . . ?
C16 C17 O1 C18 151.86(11) . . . . ?
C20 C17 O1 C18 26.43(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        28.41
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.033


