# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_p150428f
_database_code_depnum_ccdc_archive 'CCDC 1851016'
_audit_update_record             
;
2018-06-22 deposited with the CCDC.
2018-10-02 downloaded from the CCDC.
;
_audit_creation_date             2015-04-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C27 H20 N2 O4'
_chemical_formula_sum            'C27 H20 N2 O4'
_chemical_formula_weight         436.45
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C N O'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   13.3657(5)
_cell_length_b                   10.0390(3)
_cell_length_c                   15.8436(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.407(3)
_cell_angle_gamma                90.00
_cell_volume                     2108.12(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2931
_cell_measurement_temperature    162(30)
_cell_measurement_theta_max      28.3880
_cell_measurement_theta_min      4.0240
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7907
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.95
_diffrn_ambient_temperature      162(30)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -20.00    6.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497  -99.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega   -1.00   83.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   37.0000 -180.0000 84

#__ type_ start__ end____ width___ exp.time_
  3 omega   52.00   77.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497 -127.0000   80.0000 25

#__ type_ start__ end____ width___ exp.time_
  4 omega    4.00   91.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   37.0000   90.0000 87
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0501118000
_diffrn_orient_matrix_UB_12      0.0018337000
_diffrn_orient_matrix_UB_13      0.0212306000
_diffrn_orient_matrix_UB_21      0.0187208000
_diffrn_orient_matrix_UB_22      0.0052823000
_diffrn_orient_matrix_UB_23      -0.0397578000
_diffrn_orient_matrix_UB_31      -0.0027623000
_diffrn_orient_matrix_UB_32      0.0703781000
_diffrn_orient_matrix_UB_33      0.0024984000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2895
_reflns_number_total             3701
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3701
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0487P)²+0.8517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1256
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19), C18(H18), C23(H23)
2.b Secondary CH2 refined with riding coordinates:
 C26(H26a,H26b)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C11(H11), C12(H12), C5(H5), C33(H33), C6(H6), C4(H4),
 C3(H3), C22(H22), C30(H30), C25(H25), C32(H32), C31(H31)
2.d Idealised tetrahedral OH refined as rotating group:
 O27(H27)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N1 N 0.77478(12) 0.09257(17) 0.21050(11) 0.0215(4) Uani 1 d . . .
O21 O 0.25634(11) 0.31435(14) 0.39663(9) 0.0303(4) Uani 1 d . . .
O29 O 0.50174(11) 0.15660(17) 0.50408(10) 0.0360(4) Uani 1 d . . .
N16 N 0.42389(12) 0.09599(17) 0.37210(11) 0.0241(4) Uani 1 d . . .
C13 C 0.68633(15) 0.0933(2) 0.25184(12) 0.0203(5) Uani 1 d . . .
C15 C 0.55341(16) 0.2128(2) 0.30672(13) 0.0266(5) Uani 1 d . . .
H15 H 0.5215 0.2926 0.3164 0.032 Uiso 1 calc . . R
O28 O 0.30861(11) 0.03307(16) 0.25905(10) 0.0328(4) Uani 1 d . . .
C2 C 0.78146(15) 0.1422(2) 0.12887(12) 0.0201(5) Uani 1 d . . .
C14 C 0.64095(16) 0.2132(2) 0.26814(13) 0.0253(5) Uani 1 d . . .
H14 H 0.6690 0.2933 0.2533 0.030 Uiso 1 calc . . R
C11 C 0.55976(15) -0.0258(2) 0.31660(13) 0.0247(5) Uani 1 d . . .
H11 H 0.5332 -0.1055 0.3338 0.030 Uiso 1 calc . . R
C12 C 0.64556(16) -0.0261(2) 0.27671(13) 0.0253(5) Uani 1 d . . .
H12 H 0.6764 -0.1064 0.2663 0.030 Uiso 1 calc . . R
C9 C 0.86475(15) 0.0253(2) 0.23845(13) 0.0227(5) Uani 1 d . . .
C5 C 0.82888(17) 0.2158(2) -0.02868(14) 0.0290(5) Uani 1 d . . .
H5 H 0.8439 0.2416 -0.0820 0.035 Uiso 1 calc . . R
C10 C 0.51367(15) 0.0938(2) 0.33072(13) 0.0227(5) Uani 1 d . . .
C7 C 0.87559(15) 0.1064(2) 0.10472(13) 0.0206(5) Uani 1 d . . .
C20 C 0.32812(15) 0.0668(2) 0.33301(14) 0.0239(5) Uani 1 d . . .
C19 C 0.25394(15) 0.0850(2) 0.39631(14) 0.0251(5) Uani 1 d . . .
H19 H 0.2154 0.0040 0.4047 0.030 Uiso 1 calc . . R
C33 C 1.02430(16) -0.0264(2) 0.18938(15) 0.0303(5) Uani 1 d . . .
H33 H 1.0680 -0.0219 0.1483 0.036 Uiso 1 calc . . R
C6 C 0.89865(16) 0.1440(2) 0.02477(13) 0.0260(5) Uani 1 d . . .
H6 H 0.9603 0.1209 0.0077 0.031 Uiso 1 calc . . R
C17 C 0.42557(16) 0.1320(2) 0.45799(13) 0.0245(5) Uani 1 d . . .
C18 C 0.31751(15) 0.1336(2) 0.47841(14) 0.0244(5) Uani 1 d . . .
H18 H 0.3084 0.0784 0.5278 0.029 Uiso 1 calc . . R
O27 O 0.36850(19) 0.32747(19) 0.61896(11) 0.0667(7) Uani 1 d . . .
H27 H 0.3549 0.3827 0.6539 0.100 Uiso 1 calc . . GR
C4 C 0.73585(16) 0.2502(2) -0.00359(13) 0.0276(5) Uani 1 d . . .
H4 H 0.6901 0.2992 -0.0405 0.033 Uiso 1 calc . . R
C3 C 0.71015(16) 0.2131(2) 0.07503(13) 0.0244(5) Uani 1 d . . .
H3 H 0.6477 0.2347 0.0912 0.029 Uiso 1 calc . . R
C24 C 0.27568(17) 0.2791(2) 0.48573(14) 0.0301(5) Uani 1 d . . .
C23 C 0.18558(16) 0.2086(2) 0.37187(15) 0.0311(5) Uani 1 d . . .
H23 H 0.1534 0.2113 0.3127 0.037 Uiso 1 calc . . R
C8 C 0.92908(15) 0.0331(2) 0.17516(13) 0.0232(5) Uani 1 d . . .
C22 C 0.11469(18) 0.2177(3) 0.43870(17) 0.0417(7) Uani 1 d . . .
H22 H 0.0463 0.1970 0.4322 0.050 Uiso 1 calc . . R
C30 C 0.89372(17) -0.0377(2) 0.31595(14) 0.0301(5) Uani 1 d . . .
H30 H 0.8513 -0.0403 0.3581 0.036 Uiso 1 calc . . R
C25 C 0.17008(19) 0.2611(2) 0.50829(16) 0.0382(6) Uani 1 d . . .
H25 H 0.1484 0.2774 0.5608 0.046 Uiso 1 calc . . R
C32 C 1.05239(17) -0.0918(2) 0.26516(15) 0.0363(6) Uani 1 d . . .
H32 H 1.1150 -0.1334 0.2747 0.044 Uiso 1 calc . . R
C26 C 0.3427(2) 0.3790(2) 0.53568(15) 0.0439(7) Uani 1 d . . .
H26A H 0.4032 0.3935 0.5090 0.053 Uiso 1 calc . . R
H26B H 0.3078 0.4633 0.5379 0.053 Uiso 1 calc . . R
C31 C 0.98810(17) -0.0963(2) 0.32773(16) 0.0369(6) Uani 1 d . . .
H31 H 1.0092 -0.1399 0.3787 0.044 Uiso 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
N1 C13 1.423(2) . ?
N1 C2 1.400(2) . ?
N1 C9 1.400(2) . ?
O21 C24 1.446(3) . ?
O21 C23 1.442(3) . ?
O29 C17 1.200(2) . ?
N16 C10 1.440(3) . ?
N16 C20 1.380(3) . ?
N16 C17 1.405(3) . ?
C13 C14 1.387(3) . ?
C13 C12 1.394(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.388(3) . ?
C15 C10 1.380(3) . ?
O28 C20 1.215(2) . ?
C2 C7 1.408(3) . ?
C2 C3 1.390(3) . ?
C14 H14 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.379(3) . ?
C11 C10 1.381(3) . ?
C12 H12 0.9300 . ?
C9 C8 1.405(3) . ?
C9 C30 1.391(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(3) . ?
C5 C4 1.397(3) . ?
C7 C6 1.394(3) . ?
C7 C8 1.447(3) . ?
C20 C19 1.509(3) . ?
C19 H19 0.9800 . ?
C19 C18 1.539(3) . ?
C19 C23 1.560(3) . ?
C33 H33 0.9300 . ?
C33 C8 1.398(3) . ?
C33 C32 1.377(3) . ?
C6 H6 0.9300 . ?
C17 C18 1.520(3) . ?
C18 H18 0.9800 . ?
C18 C24 1.573(3) . ?
O27 H27 0.8200 . ?
O27 C26 1.418(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.385(3) . ?
C3 H3 0.9300 . ?
C24 C25 1.511(3) . ?
C24 C26 1.501(3) . ?
C23 H23 0.9800 . ?
C23 C22 1.512(3) . ?
C22 H22 0.9300 . ?
C22 C25 1.320(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.383(3) . ?
C25 H25 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.394(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C31 H31 0.9300 . ?

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 N1 C13 125.38(16) . . ?
C2 N1 C9 108.03(16) . . ?
C9 N1 C13 125.96(17) . . ?
C23 O21 C24 96.52(16) . . ?
C20 N16 C10 124.88(17) . . ?
C20 N16 C17 112.78(17) . . ?
C17 N16 C10 122.32(17) . . ?
C14 C13 N1 119.95(19) . . ?
C14 C13 C12 119.80(19) . . ?
C12 C13 N1 120.25(18) . . ?
C14 C15 H15 120.0 . . ?
C10 C15 H15 120.0 . . ?
C10 C15 C14 120.0(2) . . ?
N1 C2 C7 109.01(17) . . ?
C3 C2 N1 128.97(19) . . ?
C3 C2 C7 122.00(19) . . ?
C13 C14 C15 119.5(2) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C12 C11 H11 120.3 . . ?
C12 C11 C10 119.4(2) . . ?
C10 C11 H11 120.3 . . ?
C13 C12 H12 119.8 . . ?
C11 C12 C13 120.4(2) . . ?
C11 C12 H12 119.8 . . ?
N1 C9 C8 109.09(17) . . ?
C30 C9 N1 128.9(2) . . ?
C30 C9 C8 121.94(19) . . ?
C6 C5 H5 119.6 . . ?
C6 C5 C4 120.7(2) . . ?
C4 C5 H5 119.6 . . ?
C15 C10 N16 119.02(19) . . ?
C15 C10 C11 120.8(2) . . ?
C11 C10 N16 120.15(19) . . ?
C2 C7 C8 106.87(18) . . ?
C6 C7 C2 119.20(19) . . ?
C6 C7 C8 133.93(19) . . ?
N16 C20 C19 109.10(18) . . ?
O28 C20 N16 124.3(2) . . ?
O28 C20 C19 126.62(19) . . ?
C20 C19 H19 113.1 . . ?
C20 C19 C18 105.16(17) . . ?
C20 C19 C23 110.18(18) . . ?
C18 C19 H19 113.1 . . ?
C18 C19 C23 101.50(17) . . ?
C23 C19 H19 113.1 . . ?
C8 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C32 C33 C8 119.0(2) . . ?
C5 C6 C7 119.2(2) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
O29 C17 N16 123.3(2) . . ?
O29 C17 C18 128.5(2) . . ?
N16 C17 C18 108.17(17) . . ?
C19 C18 H18 112.6 . . ?
C19 C18 C24 101.20(16) . . ?
C17 C18 C19 104.65(17) . . ?
C17 C18 H18 112.6 . . ?
C17 C18 C24 112.47(18) . . ?
C24 C18 H18 112.6 . . ?
C26 O27 H27 109.5 . . ?
C5 C4 H4 119.3 . . ?
C3 C4 C5 121.5(2) . . ?
C3 C4 H4 119.3 . . ?
C2 C3 H3 121.3 . . ?
C4 C3 C2 117.4(2) . . ?
C4 C3 H3 121.3 . . ?
O21 C24 C18 100.12(16) . . ?
O21 C24 C25 101.85(18) . . ?
O21 C24 C26 111.75(19) . . ?
C25 C24 C18 104.97(18) . . ?
C26 C24 C18 117.74(19) . . ?
C26 C24 C25 117.9(2) . . ?
O21 C23 C19 100.12(16) . . ?
O21 C23 H23 115.5 . . ?
O21 C23 C22 102.30(18) . . ?
C19 C23 H23 115.5 . . ?
C22 C23 C19 105.92(18) . . ?
C22 C23 H23 115.5 . . ?
C9 C8 C7 106.98(18) . . ?
C33 C8 C9 119.31(19) . . ?
C33 C8 C7 133.7(2) . . ?
C23 C22 H22 127.2 . . ?
C25 C22 C23 105.7(2) . . ?
C25 C22 H22 127.2 . . ?
C9 C30 H30 121.4 . . ?
C31 C30 C9 117.3(2) . . ?
C31 C30 H30 121.4 . . ?
C24 C25 H25 126.8 . . ?
C22 C25 C24 106.4(2) . . ?
C22 C25 H25 126.8 . . ?
C33 C32 H32 119.6 . . ?
C33 C32 C31 120.8(2) . . ?
C31 C32 H32 119.6 . . ?
O27 C26 C24 107.7(2) . . ?
O27 C26 H26A 110.2 . . ?
O27 C26 H26B 110.2 . . ?
C24 C26 H26A 110.2 . . ?
C24 C26 H26B 110.2 . . ?
H26A C26 H26B 108.5 . . ?
C30 C31 C32 121.7(2) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 H31 119.2 . . ?

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
N1 C13 C14 C15 178.53(18) . . . . ?
N1 C13 C12 C11 -179.85(18) . . . . ?
N1 C2 C7 C6 179.19(17) . . . . ?
N1 C2 C7 C8 -0.7(2) . . . . ?
N1 C2 C3 C4 -179.60(19) . . . . ?
N1 C9 C8 C7 -1.0(2) . . . . ?
N1 C9 C8 C33 179.45(18) . . . . ?
N1 C9 C30 C31 -179.5(2) . . . . ?
O21 C24 C25 C22 31.2(2) . . . . ?
O21 C24 C26 O27 -172.21(19) . . . . ?
O21 C23 C22 C25 -31.1(2) . . . . ?
O29 C17 C18 C19 -176.5(2) . . . . ?
O29 C17 C18 C24 74.5(3) . . . . ?
N16 C20 C19 C18 1.8(2) . . . . ?
N16 C20 C19 C23 110.4(2) . . . . ?
N16 C17 C18 C19 3.8(2) . . . . ?
N16 C17 C18 C24 -105.14(19) . . . . ?
C13 N1 C2 C7 -171.25(18) . . . . ?
C13 N1 C2 C3 7.2(3) . . . . ?
C13 N1 C9 C8 171.86(18) . . . . ?
C13 N1 C9 C30 -10.2(3) . . . . ?
O28 C20 C19 C18 -177.7(2) . . . . ?
O28 C20 C19 C23 -69.1(3) . . . . ?
C2 N1 C13 C14 -60.8(3) . . . . ?
C2 N1 C13 C12 119.8(2) . . . . ?
C2 N1 C9 C8 0.6(2) . . . . ?
C2 N1 C9 C30 178.5(2) . . . . ?
C2 C7 C6 C5 0.2(3) . . . . ?
C2 C7 C8 C9 1.0(2) . . . . ?
C2 C7 C8 C33 -179.5(2) . . . . ?
C14 C13 C12 C11 0.7(3) . . . . ?
C14 C15 C10 N16 178.82(18) . . . . ?
C14 C15 C10 C11 -0.2(3) . . . . ?
C12 C13 C14 C15 -2.0(3) . . . . ?
C12 C11 C10 N16 179.86(18) . . . . ?
C12 C11 C10 C15 -1.1(3) . . . . ?
C9 N1 C13 C14 129.4(2) . . . . ?
C9 N1 C13 C12 -50.1(3) . . . . ?
C9 N1 C2 C7 0.1(2) . . . . ?
C9 N1 C2 C3 178.6(2) . . . . ?
C9 C30 C31 C32 0.6(4) . . . . ?
C5 C4 C3 C2 1.2(3) . . . . ?
C10 N16 C20 O28 1.6(3) . . . . ?
C10 N16 C20 C19 -177.94(18) . . . . ?
C10 N16 C17 O29 -4.0(3) . . . . ?
C10 N16 C17 C18 175.73(18) . . . . ?
C10 C15 C14 C13 1.8(3) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C7 C2 C3 C4 -1.3(3) . . . . ?
C20 N16 C10 C15 102.1(2) . . . . ?
C20 N16 C10 C11 -78.9(3) . . . . ?
C20 N16 C17 O29 177.4(2) . . . . ?
C20 N16 C17 C18 -2.9(2) . . . . ?
C20 C19 C18 C17 -3.3(2) . . . . ?
C20 C19 C18 C24 113.68(18) . . . . ?
C20 C19 C23 O21 -74.0(2) . . . . ?
C20 C19 C23 C22 180.00(18) . . . . ?
C19 C18 C24 O21 -34.96(19) . . . . ?
C19 C18 C24 C25 70.3(2) . . . . ?
C19 C18 C24 C26 -156.2(2) . . . . ?
C19 C23 C22 C25 73.3(2) . . . . ?
C33 C32 C31 C30 1.0(4) . . . . ?
C6 C5 C4 C3 -0.4(3) . . . . ?
C6 C7 C8 C9 -178.8(2) . . . . ?
C6 C7 C8 C33 0.6(4) . . . . ?
C17 N16 C10 C15 -76.4(3) . . . . ?
C17 N16 C10 C11 102.6(2) . . . . ?
C17 N16 C20 O28 -179.8(2) . . . . ?
C17 N16 C20 C19 0.7(2) . . . . ?
C17 C18 C24 O21 76.2(2) . . . . ?
C17 C18 C24 C25 -178.52(18) . . . . ?
C17 C18 C24 C26 -45.1(3) . . . . ?
C18 C19 C23 O21 37.1(2) . . . . ?
C18 C19 C23 C22 -69.0(2) . . . . ?
C18 C24 C25 C22 -72.8(2) . . . . ?
C18 C24 C26 O27 -57.2(3) . . . . ?
C4 C5 C6 C7 -0.3(3) . . . . ?
C3 C2 C7 C6 0.6(3) . . . . ?
C3 C2 C7 C8 -179.30(19) . . . . ?
C24 O21 C23 C19 -60.46(18) . . . . ?
C24 O21 C23 C22 48.45(19) . . . . ?
C23 O21 C24 C18 59.48(17) . . . . ?
C23 O21 C24 C25 -48.31(19) . . . . ?
C23 O21 C24 C26 -175.05(19) . . . . ?
C23 C19 C18 C17 -118.17(18) . . . . ?
C23 C19 C18 C24 -1.1(2) . . . . ?
C23 C22 C25 C24 -0.2(3) . . . . ?
C8 C9 C30 C31 -1.8(3) . . . . ?
C8 C7 C6 C5 -179.9(2) . . . . ?
C8 C33 C32 C31 -1.4(4) . . . . ?
C30 C9 C8 C7 -179.09(19) . . . . ?
C30 C9 C8 C33 1.4(3) . . . . ?
C25 C24 C26 O27 70.3(3) . . . . ?
C32 C33 C8 C9 0.3(3) . . . . ?
C32 C33 C8 C7 -179.1(2) . . . . ?
C26 C24 C25 C22 153.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
