# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2020

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2023454'
loop_
_audit_author_name
_audit_author_address
'Edward Tiekink'
;Sunway University
Malaysia
;
_audit_update_record             
;
2020-08-15 deposited with the CCDC.	2020-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H21 N3 O4, C3 H7 N O'
_chemical_formula_sum            'C27 H28 N4 O5'
_chemical_formula_weight         488.53

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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   8.2773(3)
_cell_length_b                   10.4031(3)
_cell_length_c                   15.3328(5)
_cell_angle_alpha                80.801(3)
_cell_angle_beta                 79.757(3)
_cell_angle_gamma                73.423(3)
_cell_volume                     1236.89(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      5.0370
_cell_measurement_theta_max      74.1020

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_F_000             516
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.753
_shelx_estimated_absorpt_T_min   0.864
_shelx_estimated_absorpt_T_max   0.928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49976
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   'CrysAlis PRO [1]'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  Mirror
_diffrn_measurement_device_type  
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean 10.4041
_diffrn_reflns_number            20020
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.464
_diffrn_reflns_theta_max         74.332
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4935
_reflns_number_gt                4159
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'CrysAlis PRO'
_computing_cell_refinement       'CrysAlis PRO'
_computing_data_reduction        'CrysAlis PRO'
_computing_structure_solution    SHELXL-97
_computing_structure_refinement  SHELXL-2018/3
_computing_molecular_graphics    'ORTEP-3 for Windows & DIAMOND'
_computing_publication_material  SHELXL-2018/3
_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)+(0.0960P)²+0.1934P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4935
_refine_ls_number_parameters     335
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1509
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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 0.53103(17) 0.30647(14) 0.58727(8) 0.0556(3) Uani 1 1 d . . . . .
O2 O 0.76800(16) 0.50642(10) 0.80621(7) 0.0460(3) Uani 1 1 d . . . . .
O3 O 1.04673(15) 0.33098(11) 1.04371(7) 0.0441(3) Uani 1 1 d . . . . .
O4 O 0.90551(17) 0.03807(10) 0.90218(8) 0.0477(3) Uani 1 1 d . . . . .
N1 N 0.58421(15) 0.55779(12) 0.64768(8) 0.0323(3) Uani 1 1 d . . . . .
N2 N 0.91021(16) 0.41536(12) 0.92278(8) 0.0344(3) Uani 1 1 d D . . . .
H2N H 0.919(2) 0.4935(12) 0.9276(12) 0.041 Uiso 1 1 d D U . . .
N3 N 0.97050(17) 0.18743(12) 0.97259(8) 0.0356(3) Uani 1 1 d D . . . .
H3N H 1.017(2) 0.1206(14) 1.0101(10) 0.043 Uiso 1 1 d D U . . .
C1 C 0.56177(18) 0.46518(14) 0.71396(9) 0.0328(3) Uani 1 1 d . . . . .
C2 C 0.4009(2) 0.52067(16) 0.77606(10) 0.0400(3) Uani 1 1 d . . . . .
C3 C 0.3630(2) 0.66869(16) 0.74289(10) 0.0396(3) Uani 1 1 d . . . . .
C4 C 0.2413(2) 0.77920(18) 0.77487(12) 0.0496(4) Uani 1 1 d . . . . .
H4 H 0.169818 0.769527 0.828220 0.059 Uiso 1 1 calc R U . . .
C5 C 0.2288(2) 0.90437(19) 0.72541(14) 0.0557(5) Uani 1 1 d . . . . .
H5 H 0.149623 0.980010 0.746461 0.067 Uiso 1 1 calc R U . . .
C6 C 0.3327(2) 0.91848(18) 0.64502(14) 0.0557(5) Uani 1 1 d . . . . .
H6 H 0.321250 1.003523 0.612792 0.067 Uiso 1 1 calc R U . . .
C7 C 0.4539(2) 0.80832(16) 0.61139(12) 0.0453(4) Uani 1 1 d . . . . .
H7 H 0.522266 0.816876 0.556826 0.054 Uiso 1 1 calc R U . . .
C8 C 0.46699(19) 0.68592(15) 0.66331(10) 0.0366(3) Uani 1 1 d . . . . .
C9 C 0.71111(19) 0.53665(16) 0.56698(10) 0.0373(3) Uani 1 1 d . . . . .
H9A H 0.652194 0.546187 0.516035 0.045 Uiso 1 1 calc R U . . .
H9B H 0.783298 0.445059 0.573533 0.045 Uiso 1 1 calc R U . . .
C10 C 0.82181(18) 0.63355(15) 0.54851(10) 0.0383(3) Uani 1 1 d . . . . .
C11 C 0.8502(2) 0.69745(18) 0.46310(12) 0.0475(4) Uani 1 1 d . . . . .
H11 H 0.799207 0.681876 0.417843 0.057 Uiso 1 1 calc R U . . .
C12 C 0.9545(2) 0.7848(2) 0.44465(15) 0.0600(5) Uani 1 1 d . . . . .
H12 H 0.973956 0.826776 0.386980 0.072 Uiso 1 1 calc R U . . .
C13 C 1.0290(2) 0.8092(2) 0.51146(17) 0.0660(6) Uani 1 1 d . . . . .
H13 H 1.097569 0.868684 0.499275 0.079 Uiso 1 1 calc R U . . .
C14 C 1.0018(3) 0.7457(2) 0.59594(16) 0.0682(6) Uani 1 1 d . . . . .
H14 H 1.052750 0.761761 0.641012 0.082 Uiso 1 1 calc R U . . .
C15 C 0.8990(2) 0.6576(2) 0.61497(13) 0.0540(4) Uani 1 1 d . . . . .
H15 H 0.881791 0.614619 0.672543 0.065 Uiso 1 1 calc R U . . .
C16 C 0.4079(3) 0.4820(2) 0.87581(12) 0.0602(5) Uani 1 1 d . . . . .
H16A H 0.485705 0.522333 0.893870 0.090 Uiso 1 1 calc R U . . .
H16B H 0.445948 0.385575 0.888130 0.090 Uiso 1 1 calc R U . . .
H16C H 0.296577 0.513795 0.908214 0.090 Uiso 1 1 calc R U . . .
C17 C 0.2633(2) 0.4630(2) 0.75042(14) 0.0564(5) Uani 1 1 d . . . . .
H17A H 0.153351 0.505978 0.780097 0.085 Uiso 1 1 calc R U . . .
H17B H 0.288933 0.367421 0.768363 0.085 Uiso 1 1 calc R U . . .
H17C H 0.263153 0.479995 0.687022 0.085 Uiso 1 1 calc R U . . .
C18 C 0.64987(18) 0.32136(14) 0.71464(9) 0.0334(3) Uani 1 1 d . . . . .
C19 C 0.6128(2) 0.25265(17) 0.64821(10) 0.0413(4) Uani 1 1 d . . . . .
H19 H 0.655211 0.159244 0.652589 0.050 Uiso 1 1 calc R U . . .
C20 C 0.74697(18) 0.24215(14) 0.77682(9) 0.0335(3) Uani 1 1 d . . . . .
H20 H 0.769706 0.150297 0.772723 0.040 Uiso 1 1 calc R U . . .
C21 C 0.81977(18) 0.27009(13) 0.84566(9) 0.0323(3) Uani 1 1 d . . . . .
C22 C 0.82709(18) 0.40358(14) 0.85445(9) 0.0325(3) Uani 1 1 d . . . . .
C23 C 0.98057(18) 0.31256(14) 0.98311(9) 0.0326(3) Uani 1 1 d . . . . .
C24 C 0.89936(19) 0.15804(14) 0.90519(10) 0.0342(3) Uani 1 1 d . . . . .
O5 O 0.3934(4) 0.1165(2) 0.8135(2) 0.1449(11) Uani 1 1 d . . . . .
N4 N 0.5205(2) -0.08927(18) 0.87582(14) 0.0676(5) Uani 1 1 d . . . . .
C25 C 0.4052(4) 0.0271(3) 0.8716(3) 0.1022(10) Uani 1 1 d . . . . .
H25 H 0.321682 0.040804 0.921040 0.123 Uiso 1 1 calc R U . . .
C26 C 0.6570(4) -0.1251(3) 0.80494(17) 0.0791(7) Uani 1 1 d . . . . .
H26A H 0.634172 -0.062685 0.752473 0.119 Uiso 1 1 calc R U . . .
H26B H 0.666872 -0.214795 0.792457 0.119 Uiso 1 1 calc R U . . .
H26C H 0.761470 -0.121916 0.822344 0.119 Uiso 1 1 calc R U . . .
C27 C 0.5155(4) -0.1902(4) 0.9527(2) 0.1053(10) Uani 1 1 d . . . . .
H27A H 0.427720 -0.152832 0.998742 0.158 Uiso 1 1 calc R U . . .
H27B H 0.623420 -0.217297 0.974495 0.158 Uiso 1 1 calc R U . . .
H27C H 0.492041 -0.267258 0.935713 0.158 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 C19 1.2190(19) . ?
O2 C22 1.2280(17) . ?
O3 C23 1.2237(16) . ?
O4 C24 1.2424(17) . ?
N1 C1 1.3105(18) . ?
N1 C8 1.4342(19) . ?
N1 C9 1.4750(19) . ?
N2 C23 1.3632(18) . ?
N2 C22 1.3898(17) . ?
N2 H2N 0.854(9) . ?
N3 C23 1.3643(18) . ?
N3 C24 1.3886(17) . ?
N3 H3N 0.871(9) . ?
C1 C18 1.465(2) . ?
C1 C2 1.516(2) . ?
C2 C3 1.503(2) . ?
C2 C16 1.525(2) . ?
C2 C17 1.561(2) . ?
C3 C8 1.381(2) . ?
C3 C4 1.386(2) . ?
C4 C5 1.385(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.391(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(2) . ?
C7 H7 0.9300 . ?
C9 C10 1.510(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.383(2) . ?
C10 C15 1.383(2) . ?
C11 C12 1.389(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.376(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.385(3) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C20 1.3703(19) . ?
C18 C19 1.4531(19) . ?
C19 H19 0.9300 . ?
C20 C21 1.4092(18) . ?
C20 H20 0.9300 . ?
C21 C24 1.4359(19) . ?
C21 C22 1.4356(19) . ?
O5 C25 1.175(4) . ?
N4 C25 1.311(3) . ?
N4 C26 1.432(3) . ?
N4 C27 1.451(3) . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
C1 N1 C8 110.82(12) . . ?
C1 N1 C9 125.85(12) . . ?
C8 N1 C9 123.33(12) . . ?
C23 N2 C22 125.86(11) . . ?
C23 N2 H2N 116.4(12) . . ?
C22 N2 H2N 117.8(12) . . ?
C23 N3 C24 125.31(12) . . ?
C23 N3 H3N 116.7(12) . . ?
C24 N3 H3N 117.9(12) . . ?
N1 C1 C18 124.32(13) . . ?
N1 C1 C2 109.68(12) . . ?
C18 C1 C2 124.00(13) . . ?
C3 C2 C1 101.15(12) . . ?
C3 C2 C16 116.85(15) . . ?
C1 C2 C16 116.64(13) . . ?
C3 C2 C17 108.30(13) . . ?
C1 C2 C17 104.89(13) . . ?
C16 C2 C17 108.13(15) . . ?
C8 C3 C4 119.60(15) . . ?
C8 C3 C2 108.65(13) . . ?
C4 C3 C2 131.59(15) . . ?
C5 C4 C3 118.33(17) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C6 120.90(17) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C7 121.48(17) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 116.33(16) . . ?
C8 C7 H7 121.8 . . ?
C6 C7 H7 121.8 . . ?
C7 C8 C3 123.31(15) . . ?
C7 C8 N1 128.54(14) . . ?
C3 C8 N1 108.15(13) . . ?
N1 C9 C10 113.60(12) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C11 C10 C15 119.10(16) . . ?
C11 C10 C9 119.58(14) . . ?
C15 C10 C9 121.30(14) . . ?
C10 C11 C12 120.28(18) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 120.17(18) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 119.66(18) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 120.7(2) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 120.12(18) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
C2 C16 H16A 109.5 . . ?
C2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2 C17 H17A 109.5 . . ?
C2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C18 C19 116.65(13) . . ?
C20 C18 C1 127.07(12) . . ?
C19 C18 C1 115.82(12) . . ?
O1 C19 C18 125.85(15) . . ?
O1 C19 H19 117.1 . . ?
C18 C19 H19 117.1 . . ?
C18 C20 C21 133.72(13) . . ?
C18 C20 H20 113.1 . . ?
C21 C20 H20 113.1 . . ?
C20 C21 C24 117.78(12) . . ?
C20 C21 C22 122.69(12) . . ?
C24 C21 C22 119.40(12) . . ?
O2 C22 N2 118.12(12) . . ?
O2 C22 C21 125.36(13) . . ?
N2 C22 C21 116.52(12) . . ?
O3 C23 N3 121.83(13) . . ?
O3 C23 N2 122.40(12) . . ?
N3 C23 N2 115.76(11) . . ?
O4 C24 N3 117.95(12) . . ?
O4 C24 C21 125.03(12) . . ?
N3 C24 C21 117.00(12) . . ?
C25 N4 C26 122.3(3) . . ?
C25 N4 C27 121.6(3) . . ?
C26 N4 C27 116.1(2) . . ?
O5 C25 N4 128.5(4) . . ?
O5 C25 H25 115.7 . . ?
N4 C25 H25 115.7 . . ?
N4 C26 H26A 109.5 . . ?
N4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N4 C27 H27A 109.5 . . ?
N4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
C8 N1 C1 C18 173.92(12) . . . . ?
C9 N1 C1 C18 -6.0(2) . . . . ?
C8 N1 C1 C2 9.49(15) . . . . ?
C9 N1 C1 C2 -170.38(12) . . . . ?
N1 C1 C2 C3 -12.39(15) . . . . ?
C18 C1 C2 C3 -176.88(12) . . . . ?
N1 C1 C2 C16 -140.26(15) . . . . ?
C18 C1 C2 C16 55.2(2) . . . . ?
N1 C1 C2 C17 100.16(14) . . . . ?
C18 C1 C2 C17 -64.33(17) . . . . ?
C1 C2 C3 C8 10.91(15) . . . . ?
C16 C2 C3 C8 138.65(15) . . . . ?
C17 C2 C3 C8 -99.03(15) . . . . ?
C1 C2 C3 C4 -173.83(16) . . . . ?
C16 C2 C3 C4 -46.1(2) . . . . ?
C17 C2 C3 C4 76.2(2) . . . . ?
C8 C3 C4 C5 -0.3(2) . . . . ?
C2 C3 C4 C5 -175.09(16) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C4 C5 C6 C7 -0.5(3) . . . . ?
C5 C6 C7 C8 -1.4(3) . . . . ?
C6 C7 C8 C3 2.6(2) . . . . ?
C6 C7 C8 N1 -177.00(15) . . . . ?
C4 C3 C8 C7 -1.8(2) . . . . ?
C2 C3 C8 C7 174.09(14) . . . . ?
C4 C3 C8 N1 177.86(13) . . . . ?
C2 C3 C8 N1 -6.22(16) . . . . ?
C1 N1 C8 C7 177.57(15) . . . . ?
C9 N1 C8 C7 -2.6(2) . . . . ?
C1 N1 C8 C3 -2.11(16) . . . . ?
C9 N1 C8 C3 177.77(12) . . . . ?
C1 N1 C9 C10 -127.18(14) . . . . ?
C8 N1 C9 C10 52.96(17) . . . . ?
N1 C9 C10 C11 -133.55(15) . . . . ?
N1 C9 C10 C15 47.9(2) . . . . ?
C15 C10 C11 C12 -0.2(3) . . . . ?
C9 C10 C11 C12 -178.70(15) . . . . ?
C10 C11 C12 C13 -0.6(3) . . . . ?
C11 C12 C13 C14 0.9(3) . . . . ?
C12 C13 C14 C15 -0.4(3) . . . . ?
C13 C14 C15 C10 -0.3(3) . . . . ?
C11 C10 C15 C14 0.6(3) . . . . ?
C9 C10 C15 C14 179.14(18) . . . . ?
N1 C1 C18 C20 123.84(17) . . . . ?
C2 C1 C18 C20 -73.9(2) . . . . ?
N1 C1 C18 C19 -64.22(19) . . . . ?
C2 C1 C18 C19 98.03(17) . . . . ?
C20 C18 C19 O1 -178.82(16) . . . . ?
C1 C18 C19 O1 8.4(2) . . . . ?
C19 C18 C20 C21 174.19(16) . . . . ?
C1 C18 C20 C21 -13.9(3) . . . . ?
C18 C20 C21 C24 173.02(16) . . . . ?
C18 C20 C21 C22 -11.3(3) . . . . ?
C23 N2 C22 O2 178.89(14) . . . . ?
C23 N2 C22 C21 -1.9(2) . . . . ?
C20 C21 C22 O2 2.3(2) . . . . ?
C24 C21 C22 O2 177.97(15) . . . . ?
C20 C21 C22 N2 -176.82(13) . . . . ?
C24 C21 C22 N2 -1.2(2) . . . . ?
C24 N3 C23 O3 -179.24(14) . . . . ?
C24 N3 C23 N2 1.7(2) . . . . ?
C22 N2 C23 O3 -177.32(14) . . . . ?
C22 N2 C23 N3 1.7(2) . . . . ?
C23 N3 C24 O4 177.18(15) . . . . ?
C23 N3 C24 C21 -4.5(2) . . . . ?
C20 C21 C24 O4 -1.9(2) . . . . ?
C22 C21 C24 O4 -177.76(15) . . . . ?
C20 C21 C24 N3 179.96(13) . . . . ?
C22 C21 C24 N3 4.1(2) . . . . ?
C26 N4 C25 O5 0.0(5) . . . . ?
C27 N4 C25 O5 -179.2(3) . . . . ?

_refine_diff_density_max         0.301
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.054

