# Electronic Supplementary Material (ESI) for Green Chemistry.
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2157488'
loop_
_audit_author_name
_audit_author_address
'Pei-Long Wang'
;Huaibei Normal University
China
;
_audit_update_record             
;
2022-03-09 deposited with the CCDC.	2023-05-23 downloaded from the CCDC.
;
_audit_creation_date             2022-03-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H19 N O3'
_chemical_formula_sum            'C24 H19 N O3'
_chemical_formula_weight         369.40
_chemical_melting_point          ?
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'

_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.
;
_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_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.998(3)
_cell_length_b                   13.804(4)
_cell_length_c                   14.731(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.647(10)
_cell_angle_gamma                90
_cell_volume                     1827.9(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    464
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.31
_cell_measurement_theta_min      3.09
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0605 before and 0.0530 after correction.
The Ratio of minimum to maximum transmission is 0.9753.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            100316
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.654
_diffrn_reflns_theta_min         2.768
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3453
_reflns_number_total             4241
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.203
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4241
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0401
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0515P)²+0.4734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1142
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16), C17(H17),
 C20(H20), C21(H21), C22(H22), C23(H23)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.66915(9) 0.24775(6) 0.22191(5) 0.0378(2) Uani 1 1 d . . . . .
O2 O 0.39096(11) 0.48746(7) 0.15702(8) 0.0549(3) Uani 1 1 d . . . . .
O3 O 0.48219(11) 0.13026(8) -0.02520(7) 0.0566(3) Uani 1 1 d . . . . .
N1 N 0.80789(11) 0.12834(7) 0.17254(7) 0.0371(2) Uani 1 1 d . . . . .
C1 C 0.77256(13) 0.17873(8) 0.24158(8) 0.0357(3) Uani 1 1 d . . . . .
C2 C 0.83017(16) 0.17318(10) 0.33694(9) 0.0465(3) Uani 1 1 d . . . . .
H2A H 0.758548 0.141225 0.372881 0.070 Uiso 1 1 calc R U . . .
H2B H 0.847756 0.237412 0.359988 0.070 Uiso 1 1 calc R U . . .
H2C H 0.921639 0.137286 0.339960 0.070 Uiso 1 1 calc R U . . .
C3 C 0.72122(13) 0.16608(8) 0.09913(8) 0.0345(2) Uani 1 1 d . . . . .
C4 C 0.73896(15) 0.12692(9) 0.00698(8) 0.0381(3) Uani 1 1 d . . . . .
C5 C 0.88035(17) 0.10357(10) -0.01912(9) 0.0478(3) Uani 1 1 d . . . . .
H5 H 0.961412 0.115257 0.020838 0.057 Uiso 1 1 calc R U . . .
C6 C 0.9041(2) 0.06314(12) -0.10344(10) 0.0588(4) Uani 1 1 d . . . . .
H6 H 0.999899 0.047749 -0.119670 0.071 Uiso 1 1 calc R U . . .
C7 C 0.7853(2) 0.04617(12) -0.16242(10) 0.0611(4) Uani 1 1 d . . . . .
H7 H 0.800705 0.019713 -0.219276 0.073 Uiso 1 1 calc R U . . .
C8 C 0.6436(2) 0.06773(11) -0.13863(9) 0.0545(4) Uani 1 1 d . . . . .
H8 H 0.563479 0.055198 -0.179071 0.065 Uiso 1 1 calc R U . . .
C9 C 0.61927(16) 0.10829(9) -0.05422(9) 0.0432(3) Uani 1 1 d . . . . .
C10 C 0.35737(19) 0.11669(14) -0.08612(13) 0.0686(5) Uani 1 1 d . . . . .
H10A H 0.368276 0.155941 -0.139201 0.103 Uiso 1 1 calc R U . . .
H10B H 0.268498 0.135200 -0.056923 0.103 Uiso 1 1 calc R U . . .
H10C H 0.350803 0.049754 -0.103505 0.103 Uiso 1 1 calc R U . . .
C11 C 0.63809(13) 0.23917(9) 0.12981(8) 0.0352(3) Uani 1 1 d . . . . .
C12 C 0.53778(13) 0.31442(9) 0.08868(8) 0.0358(3) Uani 1 1 d . . . . .
H12 H 0.522747 0.299001 0.023968 0.043 Uiso 1 1 calc R U . . .
C13 C 0.38642(13) 0.31409(9) 0.12939(8) 0.0370(3) Uani 1 1 d . . . . .
C14 C 0.30632(16) 0.22875(10) 0.13757(10) 0.0481(3) Uani 1 1 d . . . . .
H14 H 0.348639 0.170482 0.120407 0.058 Uiso 1 1 calc R U . . .
C15 C 0.16552(17) 0.22859(11) 0.17056(11) 0.0546(4) Uani 1 1 d . . . . .
H15 H 0.112879 0.170893 0.174618 0.066 Uiso 1 1 calc R U . . .
C16 C 0.10319(16) 0.31459(11) 0.19753(11) 0.0540(4) Uani 1 1 d . . . . .
H16 H 0.007554 0.314925 0.218918 0.065 Uiso 1 1 calc R U . . .
C17 C 0.18125(16) 0.39947(11) 0.19302(11) 0.0504(3) Uani 1 1 d . . . . .
H17 H 0.140274 0.457135 0.212854 0.061 Uiso 1 1 calc R U . . .
C18 C 0.32173(14) 0.39850(9) 0.15864(9) 0.0400(3) Uani 1 1 d . . . . .
C19 C 0.53269(14) 0.49320(9) 0.12725(9) 0.0392(3) Uani 1 1 d . . . . .
C20 C 0.59595(16) 0.58484(10) 0.13233(10) 0.0488(3) Uani 1 1 d . . . . .
H20 H 0.542806 0.636705 0.154750 0.059 Uiso 1 1 calc R U . . .
C21 C 0.73709(17) 0.59818(11) 0.10409(10) 0.0530(4) Uani 1 1 d . . . . .
H21 H 0.779911 0.659495 0.106471 0.064 Uiso 1 1 calc R U . . .
C22 C 0.81592(17) 0.52069(12) 0.07207(11) 0.0556(4) Uani 1 1 d . . . . .
H22 H 0.912009 0.529635 0.052931 0.067 Uiso 1 1 calc R U . . .
C23 C 0.75210(16) 0.43000(11) 0.06847(9) 0.0478(3) Uani 1 1 d . . . . .
H23 H 0.806721 0.378077 0.047478 0.057 Uiso 1 1 calc R U . . .
C24 C 0.60857(13) 0.41419(9) 0.09535(8) 0.0359(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
O1 C1 1.3538(15) . ?
O1 C11 1.3776(14) . ?
O2 C18 1.3776(16) . ?
O2 C19 1.3699(16) . ?
O3 C9 1.3583(18) . ?
O3 C10 1.4174(18) . ?
N1 C1 1.2842(16) . ?
N1 C3 1.4039(15) . ?
C1 C2 1.4768(17) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.4766(17) . ?
C3 C11 1.3465(17) . ?
C4 C5 1.3841(19) . ?
C4 C9 1.3962(19) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.366(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.370(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.3901(19) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.4868(16) . ?
C12 H12 0.9800 . ?
C12 C13 1.5133(17) . ?
C12 C24 1.5187(17) . ?
C13 C14 1.3891(19) . ?
C13 C18 1.3804(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.379(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.369(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.3834(19) . ?
C19 C20 1.3878(19) . ?
C19 C24 1.3808(17) . ?
C20 H20 0.9300 . ?
C20 C21 1.367(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.379(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.377(2) . ?
C23 H23 0.9300 . ?
C23 C24 1.3856(18) . ?

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 O1 C11 104.86(9) . . ?
C19 O2 C18 119.05(10) . . ?
C9 O3 C10 118.41(12) . . ?
C1 N1 C3 105.06(10) . . ?
O1 C1 C2 116.60(11) . . ?
N1 C1 O1 113.87(10) . . ?
N1 C1 C2 129.52(12) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 C4 119.50(10) . . ?
C11 C3 N1 108.49(10) . . ?
C11 C3 C4 131.92(11) . . ?
C5 C4 C3 118.72(12) . . ?
C5 C4 C9 117.98(12) . . ?
C9 C4 C3 123.24(12) . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.59(14) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.35(15) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.66(13) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.20(15) . . ?
C9 C8 H8 119.9 . . ?
O3 C9 C4 116.12(11) . . ?
O3 C9 C8 123.66(13) . . ?
C8 C9 C4 120.21(14) . . ?
O3 C10 H10A 109.5 . . ?
O3 C10 H10B 109.5 . . ?
O3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O1 C11 C12 115.66(10) . . ?
C3 C11 O1 107.72(10) . . ?
C3 C11 C12 136.31(11) . . ?
C11 C12 H12 107.4 . . ?
C11 C12 C13 112.15(10) . . ?
C11 C12 C24 111.24(10) . . ?
C13 C12 H12 107.4 . . ?
C13 C12 C24 111.08(10) . . ?
C24 C12 H12 107.4 . . ?
C14 C13 C12 121.14(11) . . ?
C18 C13 C12 121.42(11) . . ?
C18 C13 C14 117.44(12) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.42(13) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.54(14) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.41(13) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.4 . . ?
C16 C17 C18 119.27(13) . . ?
C18 C17 H17 120.4 . . ?
O2 C18 C13 123.33(11) . . ?
O2 C18 C17 114.79(12) . . ?
C13 C18 C17 121.87(12) . . ?
O2 C19 C20 114.91(11) . . ?
O2 C19 C24 123.06(11) . . ?
C24 C19 C20 122.03(12) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.40(13) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 119.97(14) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.88(14) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 119.2 . . ?
C22 C23 C24 121.64(13) . . ?
C24 C23 H23 119.2 . . ?
C19 C24 C12 121.73(11) . . ?
C19 C24 C23 117.06(12) . . ?
C23 C24 C12 121.21(11) . . ?

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
O1 C11 C12 C13 -60.76(14) . . . . ?
O1 C11 C12 C24 64.33(13) . . . . ?
O2 C19 C20 C21 -179.89(13) . . . . ?
O2 C19 C24 C12 1.60(19) . . . . ?
O2 C19 C24 C23 -179.17(12) . . . . ?
N1 C3 C4 C5 -38.89(17) . . . . ?
N1 C3 C4 C9 138.31(13) . . . . ?
N1 C3 C11 O1 -0.74(13) . . . . ?
N1 C3 C11 C12 172.22(13) . . . . ?
C1 O1 C11 C3 0.73(13) . . . . ?
C1 O1 C11 C12 -173.89(10) . . . . ?
C1 N1 C3 C4 177.40(11) . . . . ?
C1 N1 C3 C11 0.46(13) . . . . ?
C3 N1 C1 O1 0.01(14) . . . . ?
C3 N1 C1 C2 -178.62(13) . . . . ?
C3 C4 C5 C6 177.56(13) . . . . ?
C3 C4 C9 O3 1.36(18) . . . . ?
C3 C4 C9 C8 -177.40(12) . . . . ?
C3 C11 C12 C13 126.68(15) . . . . ?
C3 C11 C12 C24 -108.23(16) . . . . ?
C4 C3 C11 O1 -177.16(12) . . . . ?
C4 C3 C11 C12 -4.2(2) . . . . ?
C4 C5 C6 C7 0.2(2) . . . . ?
C5 C4 C9 O3 178.58(12) . . . . ?
C5 C4 C9 C8 -0.2(2) . . . . ?
C5 C6 C7 C8 -0.7(2) . . . . ?
C6 C7 C8 C9 0.7(2) . . . . ?
C7 C8 C9 O3 -178.94(14) . . . . ?
C7 C8 C9 C4 -0.3(2) . . . . ?
C9 C4 C5 C6 0.2(2) . . . . ?
C10 O3 C9 C4 177.31(14) . . . . ?
C10 O3 C9 C8 -4.0(2) . . . . ?
C11 O1 C1 N1 -0.46(13) . . . . ?
C11 O1 C1 C2 178.36(11) . . . . ?
C11 C3 C4 C5 137.21(15) . . . . ?
C11 C3 C4 C9 -45.6(2) . . . . ?
C11 C12 C13 C14 -49.48(16) . . . . ?
C11 C12 C13 C18 131.42(12) . . . . ?
C11 C12 C24 C19 -131.30(12) . . . . ?
C11 C12 C24 C23 49.51(15) . . . . ?
C12 C13 C14 C15 -176.87(13) . . . . ?
C12 C13 C18 O2 -2.97(19) . . . . ?
C12 C13 C18 C17 177.71(12) . . . . ?
C13 C12 C24 C19 -5.62(15) . . . . ?
C13 C12 C24 C23 175.19(11) . . . . ?
C13 C14 C15 C16 -1.1(2) . . . . ?
C14 C13 C18 O2 177.90(12) . . . . ?
C14 C13 C18 C17 -1.42(19) . . . . ?
C14 C15 C16 C17 -1.0(2) . . . . ?
C15 C16 C17 C18 1.9(2) . . . . ?
C16 C17 C18 O2 -179.97(14) . . . . ?
C16 C17 C18 C13 -0.6(2) . . . . ?
C18 O2 C19 C20 -176.91(12) . . . . ?
C18 O2 C19 C24 2.45(19) . . . . ?
C18 C13 C14 C15 2.3(2) . . . . ?
C19 O2 C18 C13 -1.8(2) . . . . ?
C19 O2 C18 C17 177.61(12) . . . . ?
C19 C20 C21 C22 -0.9(2) . . . . ?
C20 C19 C24 C12 -179.08(12) . . . . ?
C20 C19 C24 C23 0.14(19) . . . . ?
C20 C21 C22 C23 0.1(2) . . . . ?
C21 C22 C23 C24 0.8(2) . . . . ?
C22 C23 C24 C12 178.31(13) . . . . ?
C22 C23 C24 C19 -0.9(2) . . . . ?
C24 C12 C13 C14 -174.66(11) . . . . ?
C24 C12 C13 C18 6.24(16) . . . . ?
C24 C19 C20 C21 0.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
