# Electronic Supplementary Material (ESI) for ChemComm.
# 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).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_20170222zcj_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1534996'
_audit_update_record             
;
2017-02-27 deposited with the CCDC.
2018-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H23 N O4'
_chemical_formula_weight         389.43

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           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   9.593(10)
_cell_length_b                   8.000(8)
_cell_length_c                   13.517(14)
_cell_angle_alpha                90
_cell_angle_beta                 103.143(19)
_cell_angle_gamma                90
_cell_volume                     1010.3(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2608
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      24.32
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_F_000             412
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.087
_shelx_estimated_absorpt_T_min   0.974
_shelx_estimated_absorpt_T_max   0.992
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5590
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.180
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_full        24.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.964
_reflns_number_total             3437
_reflns_number_gt                3003
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.797
_reflns_Friedel_fraction_max     0.928
_reflns_Friedel_fraction_full    0.928

_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_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)+(0.0837P)²+0.0018P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.037(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1181 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.6(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3437
_refine_ls_number_parameters     265
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.1323
_refine_ls_wR_factor_gt          0.1159
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.092
_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
C1 C 0.6203(5) 0.3595(6) 0.6260(3) 0.0603(10) Uani 1 1 d . . . . .
H1A H 0.542426 0.295015 0.641623 0.072 Uiso 1 1 calc R U . . .
H1B H 0.620037 0.469654 0.655930 0.072 Uiso 1 1 calc R U . . .
C2 C 0.7616(5) 0.2733(5) 0.6681(3) 0.0644(12) Uani 1 1 d . . . . .
H2A H 0.755771 0.158116 0.645081 0.077 Uiso 1 1 calc R U . . .
H2B H 0.780650 0.272792 0.741691 0.077 Uiso 1 1 calc R U . . .
C3 C 0.8836(4) 0.3599(4) 0.6345(2) 0.0492(9) Uani 1 1 d . . . . .
C4 C 1.0185(5) 0.3722(5) 0.6961(3) 0.0622(11) Uani 1 1 d . . . . .
H4 H 1.037067 0.325344 0.760705 0.075 Uiso 1 1 calc R U . . .
C5 C 1.1259(5) 0.4526(5) 0.6635(3) 0.0657(12) Uani 1 1 d . . . . .
H5 H 1.217340 0.457428 0.705334 0.079 Uiso 1 1 calc R U . . .
C6 C 1.0988(4) 0.5266(5) 0.5686(3) 0.0537(9) Uani 1 1 d . . . . .
H6 H 1.171204 0.583466 0.547232 0.064 Uiso 1 1 calc R U . . .
C7 C 0.9660(4) 0.5161(4) 0.5068(2) 0.0451(8) Uani 1 1 d . . . . .
H7 H 0.947760 0.567524 0.443494 0.054 Uiso 1 1 calc R U . . .
C8 C 0.8577(4) 0.4302(4) 0.5366(2) 0.0428(8) Uani 1 1 d . . . . .
C9 C 0.7141(4) 0.4088(4) 0.4726(2) 0.0424(8) Uani 1 1 d . . . . .
C10 C 0.6615(4) 0.4188(4) 0.3668(2) 0.0413(8) Uani 1 1 d . . . . .
C11 C 0.5111(4) 0.3861(4) 0.3488(3) 0.0429(8) Uani 1 1 d . . . . .
C12 C 0.4017(4) 0.3686(5) 0.2620(3) 0.0523(9) Uani 1 1 d . . . . .
H12 H 0.420536 0.381071 0.197928 0.063 Uiso 1 1 calc R U . . .
C13 C 0.2653(5) 0.3326(5) 0.2720(4) 0.0602(10) Uani 1 1 d . . . . .
H13 H 0.191733 0.323711 0.214121 0.072 Uiso 1 1 calc R U . . .
C14 C 0.2356(5) 0.3093(5) 0.3664(4) 0.0638(11) Uani 1 1 d . . . . .
H14 H 0.142245 0.285777 0.370886 0.077 Uiso 1 1 calc R U . . .
C15 C 0.3404(5) 0.3201(4) 0.4529(3) 0.0599(11) Uani 1 1 d . . . . .
H15 H 0.320907 0.301464 0.516306 0.072 Uiso 1 1 calc R U . . .
C16 C 0.4781(4) 0.3600(4) 0.4431(3) 0.0489(9) Uani 1 1 d . . . . .
C17 C 0.7520(4) 0.4371(4) 0.2959(2) 0.0403(7) Uani 1 1 d . . . . .
H17 H 0.843525 0.392446 0.316295 0.048 Uiso 1 1 calc R U . . .
C18 C 0.7213(4) 0.5102(4) 0.2040(2) 0.0392(7) Uani 1 1 d . . . . .
C19 C 0.5904(4) 0.6119(4) 0.1646(2) 0.0428(8) Uani 1 1 d . . . . .
C20 C 0.3308(7) 0.5693(8) -0.0701(5) 0.119(3) Uani 1 1 d . . . . .
H20A H 0.393522 0.579299 -0.115881 0.179 Uiso 1 1 calc R U . . .
H20B H 0.240626 0.620986 -0.099624 0.179 Uiso 1 1 calc R U . . .
H20C H 0.315831 0.453180 -0.057740 0.179 Uiso 1 1 calc R U . . .
C21 C 0.3946(5) 0.6511(6) 0.0248(3) 0.0704(12) Uani 1 1 d . . . . .
H21A H 0.419508 0.765373 0.012286 0.085 Uiso 1 1 calc R U . . .
H21B H 0.327282 0.653106 0.068623 0.085 Uiso 1 1 calc R U . . .
C22 C 0.8299(4) 0.5027(5) 0.1424(2) 0.0439(8) Uani 1 1 d . . . . .
C23 C 0.9049(5) 0.6277(6) 0.0038(3) 0.0664(12) Uani 1 1 d . . . . .
H23A H 0.999981 0.592049 0.038781 0.080 Uiso 1 1 calc R U . . .
H23B H 0.912221 0.740561 -0.020810 0.080 Uiso 1 1 calc R U . . .
C24 C 0.8521(6) 0.5175(6) -0.0822(3) 0.0826(15) Uani 1 1 d . . . . .
H24A H 0.862179 0.403329 -0.059868 0.124 Uiso 1 1 calc R U . . .
H24B H 0.906235 0.535297 -0.132898 0.124 Uiso 1 1 calc R U . . .
H24C H 0.752933 0.541155 -0.110597 0.124 Uiso 1 1 calc R U . . .
N1 N 0.6029(4) 0.3732(4) 0.5162(2) 0.0492(8) Uani 1 1 d . . . . .
O1 O 0.5507(3) 0.7257(3) 0.20854(19) 0.0605(7) Uani 1 1 d . . . . .
O2 O 0.5213(3) 0.5592(3) 0.07294(17) 0.0526(7) Uani 1 1 d . . . . .
O3 O 0.9252(3) 0.4022(4) 0.1531(2) 0.0677(8) Uani 1 1 d . . . . .
O4 O 0.8124(3) 0.6277(3) 0.07415(17) 0.0560(7) 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 N1 1.460(5) . ?
C1 C2 1.512(7) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.515(6) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.373(6) . ?
C3 C8 1.407(4) . ?
C4 C5 1.370(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.382(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.358(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.462(5) . ?
C9 N1 1.361(5) . ?
C9 C10 1.406(5) . ?
C10 C11 1.432(5) . ?
C10 C17 1.439(5) . ?
C11 C12 1.392(5) . ?
C11 C16 1.397(5) . ?
C12 C13 1.376(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.382(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.360(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.395(6) . ?
C15 H15 0.9300 . ?
C16 N1 1.372(5) . ?
C17 C18 1.344(5) . ?
C17 H17 0.9300 . ?
C18 C22 1.476(5) . ?
C18 C19 1.489(5) . ?
C19 O1 1.196(4) . ?
C19 O2 1.334(4) . ?
C20 C21 1.446(7) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 O2 1.443(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 O3 1.201(5) . ?
C22 O4 1.345(4) . ?
C23 O4 1.441(5) . ?
C23 C24 1.455(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 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
N1 C1 C2 107.6(3) . . ?
N1 C1 H1A 110.2 . . ?
C2 C1 H1A 110.2 . . ?
N1 C1 H1B 110.2 . . ?
C2 C1 H1B 110.2 . . ?
H1A C1 H1B 108.5 . . ?
C1 C2 C3 111.5(3) . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C8 118.8(4) . . ?
C4 C3 C2 122.5(3) . . ?
C8 C3 C2 118.7(3) . . ?
C5 C4 C3 120.9(3) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.2(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 119.8(4) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C6 C7 C8 121.0(3) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C3 119.4(3) . . ?
C7 C8 C9 123.8(3) . . ?
C3 C8 C9 116.8(3) . . ?
N1 C9 C10 108.5(3) . . ?
N1 C9 C8 119.6(3) . . ?
C10 C9 C8 131.9(3) . . ?
C9 C10 C11 106.1(3) . . ?
C9 C10 C17 123.5(3) . . ?
C11 C10 C17 130.0(3) . . ?
C12 C11 C16 118.0(3) . . ?
C12 C11 C10 134.4(3) . . ?
C16 C11 C10 107.5(3) . . ?
C13 C12 C11 119.3(4) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 121.3(4) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C15 C14 C13 121.1(4) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 117.6(4) . . ?
C14 C15 H15 121.2 . . ?
C16 C15 H15 121.2 . . ?
N1 C16 C15 129.7(3) . . ?
N1 C16 C11 107.7(3) . . ?
C15 C16 C11 122.5(4) . . ?
C18 C17 C10 128.4(3) . . ?
C18 C17 H17 115.8 . . ?
C10 C17 H17 115.8 . . ?
C17 C18 C22 118.0(3) . . ?
C17 C18 C19 123.9(3) . . ?
C22 C18 C19 117.8(3) . . ?
O1 C19 O2 123.7(3) . . ?
O1 C19 C18 125.2(3) . . ?
O2 C19 C18 111.1(3) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O2 C21 C20 108.2(4) . . ?
O2 C21 H21A 110.1 . . ?
C20 C21 H21A 110.1 . . ?
O2 C21 H21B 110.1 . . ?
C20 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
O3 C22 O4 123.6(3) . . ?
O3 C22 C18 125.1(3) . . ?
O4 C22 C18 111.3(3) . . ?
O4 C23 C24 111.8(4) . . ?
O4 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
O4 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C9 N1 C16 110.2(3) . . ?
C9 N1 C1 122.4(3) . . ?
C16 N1 C1 127.3(3) . . ?
C19 O2 C21 116.6(3) . . ?
C22 O4 C23 117.0(3) . . ?

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 C1 C2 C3 53.2(4) . . . . ?
C1 C2 C3 C4 144.5(4) . . . . ?
C1 C2 C3 C8 -35.5(4) . . . . ?
C8 C3 C4 C5 0.6(6) . . . . ?
C2 C3 C4 C5 -179.5(4) . . . . ?
C3 C4 C5 C6 1.7(6) . . . . ?
C4 C5 C6 C7 -1.5(6) . . . . ?
C5 C6 C7 C8 -1.0(5) . . . . ?
C6 C7 C8 C3 3.2(5) . . . . ?
C6 C7 C8 C9 -177.7(3) . . . . ?
C4 C3 C8 C7 -3.0(5) . . . . ?
C2 C3 C8 C7 177.0(3) . . . . ?
C4 C3 C8 C9 177.9(3) . . . . ?
C2 C3 C8 C9 -2.1(4) . . . . ?
C7 C8 C9 N1 -158.5(3) . . . . ?
C3 C8 C9 N1 20.7(4) . . . . ?
C7 C8 C9 C10 21.1(5) . . . . ?
C3 C8 C9 C10 -159.8(3) . . . . ?
N1 C9 C10 C11 -0.3(3) . . . . ?
C8 C9 C10 C11 -179.9(3) . . . . ?
N1 C9 C10 C17 -173.2(3) . . . . ?
C8 C9 C10 C17 7.3(5) . . . . ?
C9 C10 C11 C12 -175.6(4) . . . . ?
C17 C10 C11 C12 -3.4(6) . . . . ?
C9 C10 C11 C16 0.7(4) . . . . ?
C17 C10 C11 C16 173.0(3) . . . . ?
C16 C11 C12 C13 2.3(5) . . . . ?
C10 C11 C12 C13 178.4(4) . . . . ?
C11 C12 C13 C14 -1.7(6) . . . . ?
C12 C13 C14 C15 -0.4(6) . . . . ?
C13 C14 C15 C16 1.7(5) . . . . ?
C14 C15 C16 N1 -177.5(4) . . . . ?
C14 C15 C16 C11 -1.0(5) . . . . ?
C12 C11 C16 N1 176.2(3) . . . . ?
C10 C11 C16 N1 -0.9(4) . . . . ?
C12 C11 C16 C15 -1.0(5) . . . . ?
C10 C11 C16 C15 -178.1(3) . . . . ?
C9 C10 C17 C18 -151.5(3) . . . . ?
C11 C10 C17 C18 37.4(5) . . . . ?
C10 C17 C18 C22 -175.9(3) . . . . ?
C10 C17 C18 C19 10.1(5) . . . . ?
C17 C18 C19 O1 51.5(5) . . . . ?
C22 C18 C19 O1 -122.5(4) . . . . ?
C17 C18 C19 O2 -128.2(3) . . . . ?
C22 C18 C19 O2 57.8(4) . . . . ?
C17 C18 C22 O3 21.2(5) . . . . ?
C19 C18 C22 O3 -164.4(4) . . . . ?
C17 C18 C22 O4 -156.5(3) . . . . ?
C19 C18 C22 O4 17.9(4) . . . . ?
C10 C9 N1 C16 -0.3(4) . . . . ?
C8 C9 N1 C16 179.3(3) . . . . ?
C10 C9 N1 C1 -178.0(3) . . . . ?
C8 C9 N1 C1 1.6(5) . . . . ?
C15 C16 N1 C9 177.7(4) . . . . ?
C11 C16 N1 C9 0.8(4) . . . . ?
C15 C16 N1 C1 -4.7(6) . . . . ?
C11 C16 N1 C1 178.3(3) . . . . ?
C2 C1 N1 C9 -38.7(5) . . . . ?
C2 C1 N1 C16 144.0(4) . . . . ?
O1 C19 O2 C21 2.2(5) . . . . ?
C18 C19 O2 C21 -178.1(3) . . . . ?
C20 C21 O2 C19 -176.5(4) . . . . ?
O3 C22 O4 C23 6.8(5) . . . . ?
C18 C22 O4 C23 -175.5(3) . . . . ?
C24 C23 O4 C22 82.7(5) . . . . ?

_refine_diff_density_max         0.193
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.043

