# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_rpr026
_database_code_depnum_ccdc_archive 'CCDC 2239563'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2023-02-02 deposited with the CCDC.	2023-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H31 N3 O5'
_chemical_formula_sum            'C30 H31 N3 O5'
_chemical_formula_weight         513.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   11.3754(3)
_cell_length_b                   21.9762(6)
_cell_length_c                   11.2116(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2802.77(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9912
_cell_measurement_theta_min      4.02
_cell_measurement_theta_max      68.29

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             1088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.409
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.182
_exptl_absorpt_coefficient_mu    0.679
_shelx_estimated_absorpt_T_min   0.769
_shelx_estimated_absorpt_T_max   0.886
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7063
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17174
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         4.023
_diffrn_reflns_theta_max         68.288
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             5087
_reflns_number_gt                4949
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.759
_reflns_Friedel_fraction_max     0.982
_reflns_Friedel_fraction_full    0.985

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0609P)²+0.1987P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.0071(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2082 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.02(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5087
_refine_ls_number_parameters     355
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0413
_refine_ls_wR_factor_ref         0.0979
_refine_ls_wR_factor_gt          0.0966
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.070
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.36203(12) 0.53093(5) 0.59457(12) 0.0257(3) Uani 1 1 d . . . . .
O2 O 0.31115(17) 0.73632(6) 0.58914(15) 0.0403(4) Uani 1 1 d . . . . .
O3 O 0.56939(14) 0.59091(7) 0.24724(13) 0.0337(3) Uani 1 1 d . . . . .
O4 O 0.68195(12) 0.51738(6) 0.33567(12) 0.0269(3) Uani 1 1 d . . . . .
O5 O 0.30724(15) 0.69449(7) 0.32242(14) 0.0375(4) Uani 1 1 d . . . . .
N1 N 0.31312(15) 0.63199(7) 0.60490(15) 0.0261(3) Uani 1 1 d . . . . .
N2 N 0.55948(14) 0.57067(7) 0.44700(14) 0.0223(3) Uani 1 1 d D . . . .
H2N H 0.576(3) 0.5409(11) 0.498(2) 0.036(7) Uiso 1 1 d D . . . .
N3 N 0.48779(17) 0.71381(7) 0.39685(15) 0.0295(4) Uani 1 1 d D . . . .
H3N H 0.555(2) 0.7342(12) 0.394(3) 0.037(7) Uiso 1 1 d D . . . .
C1 C 0.3555(2) 0.68768(8) 0.56534(17) 0.0286(4) Uani 1 1 d . . . . .
C2 C 0.47125(18) 0.67505(8) 0.49985(16) 0.0258(4) Uani 1 1 d . . . . .
C3 C 0.45579(16) 0.60681(7) 0.46459(16) 0.0218(4) Uani 1 1 d . . . . .
H3 H 0.410693 0.605952 0.388044 0.026 Uiso 1 1 calc R U . . .
C4 C 0.37486(15) 0.58280(8) 0.56081(16) 0.0215(4) Uani 1 1 d . . . . .
C5 C 0.60083(16) 0.56180(8) 0.33412(17) 0.0230(4) Uani 1 1 d . . . . .
C6 C 0.75305(17) 0.50304(9) 0.22947(18) 0.0290(4) Uani 1 1 d . . . . .
C7 C 0.8398(2) 0.45666(12) 0.2790(2) 0.0430(5) Uani 1 1 d . . . . .
H7A H 0.796851 0.420832 0.307467 0.064 Uiso 1 1 calc R U . . .
H7B H 0.883593 0.474816 0.345310 0.064 Uiso 1 1 calc R U . . .
H7C H 0.894748 0.444483 0.216037 0.064 Uiso 1 1 calc R U . . .
C8 C 0.8170(2) 0.55955(11) 0.1856(3) 0.0451(6) Uani 1 1 d . . . . .
H8A H 0.759721 0.588998 0.155165 0.068 Uiso 1 1 calc R U . . .
H8B H 0.871588 0.548287 0.121643 0.068 Uiso 1 1 calc R U . . .
H8C H 0.861038 0.577770 0.251720 0.068 Uiso 1 1 calc R U . . .
C9 C 0.6767(2) 0.47467(12) 0.1339(2) 0.0417(5) Uani 1 1 d . . . . .
H9A H 0.622308 0.505311 0.102557 0.063 Uiso 1 1 calc R U . . .
H9B H 0.631890 0.440844 0.168226 0.063 Uiso 1 1 calc R U . . .
H9C H 0.726538 0.459470 0.069132 0.063 Uiso 1 1 calc R U . . .
C11 C 0.21984(19) 0.62559(9) 0.69272(19) 0.0318(4) Uani 1 1 d . . . . .
H11A H 0.216784 0.662875 0.742184 0.038 Uiso 1 1 calc R U . . .
H11B H 0.238669 0.591009 0.745994 0.038 Uiso 1 1 calc R U . . .
C12 C 0.10090(19) 0.61513(10) 0.6376(2) 0.0355(5) Uani 1 1 d . . . . .
C13 C 0.0721(2) 0.63966(10) 0.5270(2) 0.0401(5) Uani 1 1 d . . . . .
H13 H 0.128573 0.662646 0.483870 0.048 Uiso 1 1 calc R U . . .
C14 C -0.0395(3) 0.63054(13) 0.4797(3) 0.0536(7) Uani 1 1 d . . . . .
H14 H -0.059819 0.648064 0.405037 0.064 Uiso 1 1 calc R U . . .
C15 C -0.1203(3) 0.59617(18) 0.5409(4) 0.0695(9) Uani 1 1 d . . . . .
H15 H -0.195669 0.588792 0.507270 0.083 Uiso 1 1 calc R U . . .
C16 C -0.0921(3) 0.5722(2) 0.6519(5) 0.0868(14) Uani 1 1 d . . . . .
H16 H -0.148935 0.549341 0.694868 0.104 Uiso 1 1 calc R U . . .
C17 C 0.0181(3) 0.58140(18) 0.7000(4) 0.0660(9) Uani 1 1 d . . . . .
H17 H 0.037208 0.564674 0.775665 0.079 Uiso 1 1 calc R U . . .
C21 C 0.4039(2) 0.71875(8) 0.31171(18) 0.0302(4) Uani 1 1 d . . . . .
C22 C 0.4361(2) 0.75592(8) 0.20447(18) 0.0328(4) Uani 1 1 d . . . . .
C23 C 0.3457(3) 0.78632(12) 0.1456(2) 0.0492(6) Uani 1 1 d . . . . .
H23 H 0.267067 0.783211 0.173586 0.059 Uiso 1 1 calc R U . . .
C24 C 0.3713(4) 0.82123(14) 0.0455(3) 0.0647(9) Uani 1 1 d . . . . .
H24 H 0.310251 0.842480 0.005414 0.078 Uiso 1 1 calc R U . . .
C25 C 0.4852(4) 0.82502(13) 0.0046(2) 0.0601(8) Uani 1 1 d . . . . .
H25 H 0.502174 0.849266 -0.063369 0.072 Uiso 1 1 calc R U . . .
C26 C 0.5756(3) 0.79384(12) 0.0614(2) 0.0499(6) Uani 1 1 d . . . . .
H26 H 0.653675 0.796223 0.031770 0.060 Uiso 1 1 calc R U . . .
C27 C 0.5506(2) 0.75905(10) 0.1622(2) 0.0375(5) Uani 1 1 d . . . . .
H27 H 0.611648 0.737585 0.201838 0.045 Uiso 1 1 calc R U . . .
C31 C 0.5745(2) 0.68693(8) 0.58700(18) 0.0304(4) Uani 1 1 d . . . . .
H31A H 0.647408 0.670370 0.551372 0.037 Uiso 1 1 calc R U . . .
H31B H 0.584936 0.731433 0.595581 0.037 Uiso 1 1 calc R U . . .
C32 C 0.55892(19) 0.65948(9) 0.71002(18) 0.0288(4) Uani 1 1 d . . . . .
C33 C 0.4995(2) 0.69143(11) 0.7986(2) 0.0394(5) Uani 1 1 d . . . . .
H33 H 0.469920 0.730977 0.782286 0.047 Uiso 1 1 calc R U . . .
C34 C 0.4832(3) 0.66595(14) 0.9108(2) 0.0470(6) Uani 1 1 d . . . . .
H34 H 0.441130 0.687877 0.970043 0.056 Uiso 1 1 calc R U . . .
C35 C 0.5275(3) 0.60923(13) 0.9367(2) 0.0475(6) Uani 1 1 d . . . . .
H35 H 0.516805 0.592200 1.013875 0.057 Uiso 1 1 calc R U . . .
C36 C 0.5876(2) 0.57710(11) 0.8499(2) 0.0430(5) Uani 1 1 d . . . . .
H36 H 0.618225 0.537866 0.867284 0.052 Uiso 1 1 calc R U . . .
C37 C 0.6034(2) 0.60229(10) 0.73682(19) 0.0333(4) Uani 1 1 d . . . . .
H37 H 0.644907 0.580079 0.677589 0.040 Uiso 1 1 calc R U . . .


_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
O1 C4 1.210(2) . ?
O2 C1 1.212(3) . ?
O3 C5 1.219(3) . ?
O4 C5 1.343(2) . ?
O4 C6 1.473(2) . ?
O5 C21 1.228(3) . ?
N1 C4 1.381(2) . ?
N1 C1 1.388(3) . ?
N1 C11 1.454(3) . ?
N2 C5 1.364(2) . ?
N2 C3 1.435(2) . ?
N3 C21 1.354(3) . ?
N3 C2 1.447(2) . ?
C1 C2 1.533(3) . ?
C2 C31 1.550(3) . ?
C2 C3 1.561(2) . ?
C3 C4 1.513(2) . ?
C6 C9 1.513(3) . ?
C6 C8 1.521(3) . ?
C6 C7 1.523(3) . ?
C11 C12 1.505(3) . ?
C12 C17 1.388(4) . ?
C12 C13 1.392(4) . ?
C13 C14 1.390(4) . ?
C14 C15 1.374(5) . ?
C15 C16 1.389(7) . ?
C16 C17 1.379(5) . ?
C21 C22 1.499(3) . ?
C22 C27 1.387(4) . ?
C22 C23 1.393(3) . ?
C23 C24 1.390(4) . ?
C24 C25 1.377(6) . ?
C25 C26 1.390(5) . ?
C26 C27 1.394(3) . ?
C31 C32 1.516(3) . ?
C32 C37 1.388(3) . ?
C32 C33 1.392(3) . ?
C33 C34 1.389(4) . ?
C34 C35 1.376(4) . ?
C35 C36 1.384(4) . ?
C36 C37 1.395(3) . ?

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
C5 O4 C6 121.48(15) . . ?
C4 N1 C1 113.54(17) . . ?
C4 N1 C11 122.54(16) . . ?
C1 N1 C11 123.70(16) . . ?
C5 N2 C3 119.33(15) . . ?
C21 N3 C2 121.21(18) . . ?
O2 C1 N1 124.3(2) . . ?
O2 C1 C2 128.50(19) . . ?
N1 C1 C2 106.95(15) . . ?
N3 C2 C1 112.79(16) . . ?
N3 C2 C31 107.78(15) . . ?
C1 C2 C31 108.57(15) . . ?
N3 C2 C3 112.21(15) . . ?
C1 C2 C3 101.45(14) . . ?
C31 C2 C3 114.01(15) . . ?
N2 C3 C4 113.89(14) . . ?
N2 C3 C2 118.28(15) . . ?
C4 C3 C2 102.88(14) . . ?
O1 C4 N1 124.35(17) . . ?
O1 C4 C3 128.68(16) . . ?
N1 C4 C3 106.96(15) . . ?
O3 C5 O4 126.38(18) . . ?
O3 C5 N2 124.41(17) . . ?
O4 C5 N2 109.20(15) . . ?
O4 C6 C9 110.19(17) . . ?
O4 C6 C8 110.44(17) . . ?
C9 C6 C8 112.5(2) . . ?
O4 C6 C7 101.79(16) . . ?
C9 C6 C7 110.7(2) . . ?
C8 C6 C7 110.74(19) . . ?
N1 C11 C12 113.13(18) . . ?
C17 C12 C13 119.7(3) . . ?
C17 C12 C11 119.0(2) . . ?
C13 C12 C11 121.2(2) . . ?
C14 C13 C12 120.0(3) . . ?
C15 C14 C13 120.0(3) . . ?
C14 C15 C16 120.1(3) . . ?
C17 C16 C15 120.3(4) . . ?
C16 C17 C12 119.9(3) . . ?
O5 C21 N3 121.82(18) . . ?
O5 C21 C22 122.2(2) . . ?
N3 C21 C22 115.93(19) . . ?
C27 C22 C23 120.5(2) . . ?
C27 C22 C21 122.0(2) . . ?
C23 C22 C21 117.5(2) . . ?
C24 C23 C22 119.5(3) . . ?
C25 C24 C23 120.0(3) . . ?
C24 C25 C26 120.9(2) . . ?
C25 C26 C27 119.4(3) . . ?
C22 C27 C26 119.7(2) . . ?
C32 C31 C2 114.72(16) . . ?
C37 C32 C33 118.6(2) . . ?
C37 C32 C31 120.99(19) . . ?
C33 C32 C31 120.37(19) . . ?
C34 C33 C32 120.5(2) . . ?
C35 C34 C33 120.5(2) . . ?
C34 C35 C36 119.6(2) . . ?
C35 C36 C37 120.0(2) . . ?
C32 C37 C36 120.6(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
C4 N1 C1 O2 176.7(2) . . . . ?
C11 N1 C1 O2 -8.6(3) . . . . ?
C4 N1 C1 C2 -8.8(2) . . . . ?
C11 N1 C1 C2 165.85(18) . . . . ?
C21 N3 C2 C1 -52.2(2) . . . . ?
C21 N3 C2 C31 -172.09(18) . . . . ?
C21 N3 C2 C3 61.6(2) . . . . ?
O2 C1 C2 N3 -42.7(3) . . . . ?
N1 C1 C2 N3 143.20(16) . . . . ?
O2 C1 C2 C31 76.7(3) . . . . ?
N1 C1 C2 C31 -97.42(17) . . . . ?
O2 C1 C2 C3 -162.9(2) . . . . ?
N1 C1 C2 C3 22.97(18) . . . . ?
C5 N2 C3 C4 141.40(15) . . . . ?
C5 N2 C3 C2 -97.59(19) . . . . ?
N3 C2 C3 N2 85.1(2) . . . . ?
C1 C2 C3 N2 -154.29(16) . . . . ?
C31 C2 C3 N2 -37.8(2) . . . . ?
N3 C2 C3 C4 -148.43(17) . . . . ?
C1 C2 C3 C4 -27.80(17) . . . . ?
C31 C2 C3 C4 88.68(18) . . . . ?
C1 N1 C4 O1 170.81(17) . . . . ?
C11 N1 C4 O1 -3.9(3) . . . . ?
C1 N1 C4 C3 -10.2(2) . . . . ?
C11 N1 C4 C3 175.04(17) . . . . ?
N2 C3 C4 O1 -27.7(3) . . . . ?
C2 C3 C4 O1 -156.94(18) . . . . ?
N2 C3 C4 N1 153.42(15) . . . . ?
C2 C3 C4 N1 24.17(18) . . . . ?
C6 O4 C5 O3 6.6(3) . . . . ?
C6 O4 C5 N2 -172.11(15) . . . . ?
C3 N2 C5 O3 13.8(3) . . . . ?
C3 N2 C5 O4 -167.41(14) . . . . ?
C5 O4 C6 C9 -69.2(2) . . . . ?
C5 O4 C6 C8 55.6(2) . . . . ?
C5 O4 C6 C7 173.28(18) . . . . ?
C4 N1 C11 C12 -88.5(2) . . . . ?
C1 N1 C11 C12 97.3(2) . . . . ?
N1 C11 C12 C17 150.2(3) . . . . ?
N1 C11 C12 C13 -31.2(3) . . . . ?
C17 C12 C13 C14 0.3(4) . . . . ?
C11 C12 C13 C14 -178.4(2) . . . . ?
C12 C13 C14 C15 -1.4(4) . . . . ?
C13 C14 C15 C16 2.1(5) . . . . ?
C14 C15 C16 C17 -1.6(7) . . . . ?
C15 C16 C17 C12 0.4(7) . . . . ?
C13 C12 C17 C16 0.2(5) . . . . ?
C11 C12 C17 C16 178.9(4) . . . . ?
C2 N3 C21 O5 5.7(3) . . . . ?
C2 N3 C21 C22 -174.76(17) . . . . ?
O5 C21 C22 C27 -148.7(2) . . . . ?
N3 C21 C22 C27 31.8(3) . . . . ?
O5 C21 C22 C23 29.5(3) . . . . ?
N3 C21 C22 C23 -150.0(2) . . . . ?
C27 C22 C23 C24 -1.6(4) . . . . ?
C21 C22 C23 C24 -179.9(3) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C23 C24 C25 C26 0.6(5) . . . . ?
C24 C25 C26 C27 -1.0(4) . . . . ?
C23 C22 C27 C26 1.2(3) . . . . ?
C21 C22 C27 C26 179.4(2) . . . . ?
C25 C26 C27 C22 0.1(4) . . . . ?
N3 C2 C31 C32 168.55(17) . . . . ?
C1 C2 C31 C32 46.1(2) . . . . ?
C3 C2 C31 C32 -66.2(2) . . . . ?
C2 C31 C32 C37 93.3(2) . . . . ?
C2 C31 C32 C33 -86.8(2) . . . . ?
C37 C32 C33 C34 -1.3(3) . . . . ?
C31 C32 C33 C34 178.8(2) . . . . ?
C32 C33 C34 C35 1.3(4) . . . . ?
C33 C34 C35 C36 -0.7(4) . . . . ?
C34 C35 C36 C37 0.1(4) . . . . ?
C33 C32 C37 C36 0.7(3) . . . . ?
C31 C32 C37 C36 -179.3(2) . . . . ?
C35 C36 C37 C32 -0.2(4) . . . . ?

_refine_diff_density_max         0.264
_refine_diff_density_min         -0.278
_refine_diff_density_rms         0.056



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM, PE'
