# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_d15
_database_code_depnum_ccdc_archive 'CCDC 2495310'
_audit_update_record             
;
2025-10-14 deposited with the CCDC.	2026-03-10 downloaded from the CCDC.
;
_audit_creation_date             2025-08-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H14 I N3'
_chemical_formula_sum            'C22 H14 I N3'
_chemical_formula_weight         447.26
_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'
I I -0.4742 1.8119 '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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.4445(14)
_cell_length_b                   9.3612(11)
_cell_length_c                   17.933(2)
_cell_angle_alpha                90
_cell_angle_beta                 106.037(4)
_cell_angle_gamma                90
_cell_volume                     1846.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      25.65
_cell_measurement_theta_min      2.46
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.744
_exptl_absorpt_correction_T_max  0.5621
_exptl_absorpt_correction_T_min  0.2770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1368 before and 0.0692 after correction.
The Ratio of minimum to maximum transmission is 0.4928.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32731
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.738
_diffrn_reflns_theta_min         1.901
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           0.95
_diffrn_source_power             0.0475
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2831
_reflns_number_total             3508
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       0.0040(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3508
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0256P)²+4.0170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0970
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N004(H004), C00C(H00C), C00D(H00D), C00F(H00F), C00G(H00G), C00I(H00I),
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
I001 I -0.10596(3) 0.30990(4) 0.58601(2) 0.07273(18) Uani 1 1 d . . . . .
N002 N 0.3029(3) 0.3993(3) 0.42282(18) 0.0458(7) Uani 1 1 d . . . . .
N003 N 0.4689(3) 0.1690(3) 0.43377(19) 0.0462(7) Uani 1 1 d . . . . .
N004 N 0.3466(3) 0.0544(3) 0.5063(2) 0.0524(8) Uani 1 1 d . . . . .
H004 H 0.384003 -0.026050 0.515958 0.063 Uiso 1 1 calc R U . . .
C005 C 0.3990(3) 0.5347(4) 0.3425(2) 0.0462(9) Uani 1 1 d . . . . .
C006 C 0.3940(3) 0.4035(4) 0.3889(2) 0.0435(8) Uani 1 1 d . . . . .
C007 C 0.2937(3) 0.2793(4) 0.4606(2) 0.0444(8) Uani 1 1 d . . . . .
C008 C 0.4777(3) 0.2908(4) 0.3949(2) 0.0428(8) Uani 1 1 d . . . . .
C009 C 0.3765(3) 0.1654(4) 0.4653(2) 0.0454(8) Uani 1 1 d . . . . .
C00A C 0.2448(3) 0.0948(4) 0.5296(2) 0.0488(9) Uani 1 1 d . . . . .
C00B C 0.2083(3) 0.2338(4) 0.5019(2) 0.0469(9) Uani 1 1 d . . . . .
C00C C 0.1059(4) 0.2950(4) 0.5169(2) 0.0499(9) Uani 1 1 d . . . . .
H00C H 0.078812 0.385194 0.498059 0.060 Uiso 1 1 calc R U . . .
C00D C 0.4015(4) 0.6684(4) 0.3762(3) 0.0570(10) Uani 1 1 d . . . . .
H00D H 0.403725 0.675772 0.428275 0.068 Uiso 1 1 calc R U . . .
C00E C 0.5815(4) 0.2978(4) 0.3601(2) 0.0465(9) Uani 1 1 d . . . . .
C00F C 0.3950(4) 0.5271(5) 0.2650(3) 0.0628(11) Uani 1 1 d . . . . .
H00F H 0.392762 0.438482 0.241223 0.075 Uiso 1 1 calc R U . . .
C00G C 0.1824(4) 0.0181(5) 0.5722(3) 0.0586(11) Uani 1 1 d . . . . .
H00G H 0.206910 -0.073480 0.589759 0.070 Uiso 1 1 calc R U . . .
C00H C 0.0465(4) 0.2180(5) 0.5604(2) 0.0550(10) Uani 1 1 d . . . . .
C00I C 0.6735(4) 0.3958(5) 0.3848(3) 0.0589(10) Uani 1 1 d . . . . .
H00I H 0.670079 0.461344 0.423129 0.071 Uiso 1 1 calc R U . . .
C00J C 0.3944(5) 0.6506(6) 0.2224(3) 0.0755(14) Uani 1 1 d . . . . .
H00J H 0.392196 0.644558 0.170292 0.091 Uiso 1 1 calc R U . . .
C00K C 0.0833(4) 0.0806(5) 0.5879(3) 0.0598(11) Uani 1 1 d . . . . .
H00K H 0.040430 0.031393 0.616969 0.072 Uiso 1 1 calc R U . . .
C00L C 0.5884(4) 0.2019(5) 0.3026(3) 0.0620(11) Uani 1 1 d . . . . .
H00L H 0.528432 0.132812 0.285989 0.074 Uiso 1 1 calc R U . . .
C00M C 0.3969(5) 0.7812(6) 0.2567(3) 0.0766(15) Uani 1 1 d . . . . .
H00M H 0.396018 0.863814 0.227746 0.092 Uiso 1 1 calc R U . . .
C00N C 0.4006(5) 0.7910(5) 0.3328(3) 0.0726(13) Uani 1 1 d . . . . .
H00N H 0.402636 0.880301 0.355872 0.087 Uiso 1 1 calc R U . . .
C00O C 0.7755(5) 0.3066(6) 0.2953(3) 0.0756(15) Uani 1 1 d . . . . .
H00O H 0.840117 0.310320 0.273301 0.091 Uiso 1 1 calc R U . . .
C00P C 0.7708(5) 0.3983(6) 0.3534(3) 0.0726(13) Uani 1 1 d . . . . .
H00P H 0.833682 0.463075 0.372047 0.087 Uiso 1 1 calc R U . . .
C00Q C 0.6845(5) 0.2091(6) 0.2697(3) 0.0766(15) Uani 1 1 d . . . . .
H00Q H 0.687073 0.146900 0.229709 0.092 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
I001 C00H 2.107(4) . ?
N002 C006 1.346(5) . ?
N002 C007 1.331(5) . ?
N003 C008 1.354(5) . ?
N003 C009 1.329(5) . ?
N004 H004 0.8600 . ?
N004 C009 1.370(5) . ?
N004 C00A 1.395(5) . ?
C005 C006 1.493(5) . ?
C005 C00D 1.387(6) . ?
C005 C00F 1.379(6) . ?
C006 C008 1.409(5) . ?
C007 C009 1.414(5) . ?
C007 C00B 1.443(5) . ?
C008 C00E 1.488(5) . ?
C00A C00B 1.414(5) . ?
C00A C00G 1.382(6) . ?
C00B C00C 1.396(5) . ?
C00C H00C 0.9300 . ?
C00C C00H 1.373(6) . ?
C00D H00D 0.9300 . ?
C00D C00N 1.386(6) . ?
C00E C00I 1.374(6) . ?
C00E C00L 1.386(6) . ?
C00F H00F 0.9300 . ?
C00F C00J 1.384(6) . ?
C00G H00G 0.9300 . ?
C00G C00K 1.372(6) . ?
C00H C00K 1.401(6) . ?
C00I H00I 0.9300 . ?
C00I C00P 1.380(6) . ?
C00J H00J 0.9300 . ?
C00J C00M 1.365(8) . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00L C00Q 1.387(7) . ?
C00M H00M 0.9300 . ?
C00M C00N 1.356(8) . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00O C00P 1.363(7) . ?
C00O C00Q 1.365(8) . ?
C00P H00P 0.9300 . ?
C00Q H00Q 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
C007 N002 C006 115.8(3) . . ?
C009 N003 C008 114.9(3) . . ?
C009 N004 H004 126.0 . . ?
C009 N004 C00A 108.0(3) . . ?
C00A N004 H004 126.0 . . ?
C00D C005 C006 119.9(3) . . ?
C00F C005 C006 121.6(4) . . ?
C00F C005 C00D 118.5(4) . . ?
N002 C006 C005 115.5(3) . . ?
N002 C006 C008 122.6(3) . . ?
C008 C006 C005 122.0(3) . . ?
N002 C007 C009 121.3(3) . . ?
N002 C007 C00B 132.1(3) . . ?
C009 C007 C00B 106.6(3) . . ?
N003 C008 C006 121.6(3) . . ?
N003 C008 C00E 115.8(3) . . ?
C006 C008 C00E 122.6(3) . . ?
N003 C009 N004 126.4(3) . . ?
N003 C009 C007 123.7(3) . . ?
N004 C009 C007 109.9(3) . . ?
N004 C00A C00B 109.5(3) . . ?
C00G C00A N004 128.8(4) . . ?
C00G C00A C00B 121.6(4) . . ?
C00A C00B C007 106.0(3) . . ?
C00C C00B C007 134.5(4) . . ?
C00C C00B C00A 119.5(4) . . ?
C00B C00C H00C 121.0 . . ?
C00H C00C C00B 117.9(4) . . ?
C00H C00C H00C 121.0 . . ?
C005 C00D H00D 119.8 . . ?
C00N C00D C005 120.5(4) . . ?
C00N C00D H00D 119.8 . . ?
C00I C00E C008 121.6(4) . . ?
C00I C00E C00L 118.5(4) . . ?
C00L C00E C008 120.0(4) . . ?
C005 C00F H00F 119.8 . . ?
C005 C00F C00J 120.4(4) . . ?
C00J C00F H00F 119.8 . . ?
C00A C00G H00G 120.8 . . ?
C00K C00G C00A 118.4(4) . . ?
C00K C00G H00G 120.8 . . ?
C00C C00H I001 118.7(3) . . ?
C00C C00H C00K 122.3(4) . . ?
C00K C00H I001 119.0(3) . . ?
C00E C00I H00I 119.6 . . ?
C00E C00I C00P 120.8(4) . . ?
C00P C00I H00I 119.6 . . ?
C00F C00J H00J 119.9 . . ?
C00M C00J C00F 120.2(5) . . ?
C00M C00J H00J 119.9 . . ?
C00G C00K C00H 120.3(4) . . ?
C00G C00K H00K 119.9 . . ?
C00H C00K H00K 119.9 . . ?
C00E C00L H00L 120.0 . . ?
C00E C00L C00Q 120.0(5) . . ?
C00Q C00L H00L 120.0 . . ?
C00J C00M H00M 119.8 . . ?
C00N C00M C00J 120.3(4) . . ?
C00N C00M H00M 119.8 . . ?
C00D C00N H00N 119.9 . . ?
C00M C00N C00D 120.1(5) . . ?
C00M C00N H00N 119.9 . . ?
C00P C00O H00O 120.3 . . ?
C00P C00O C00Q 119.4(5) . . ?
C00Q C00O H00O 120.3 . . ?
C00I C00P H00P 119.7 . . ?
C00O C00P C00I 120.6(5) . . ?
C00O C00P H00P 119.7 . . ?
C00L C00Q H00Q 119.7 . . ?
C00O C00Q C00L 120.7(5) . . ?
C00O C00Q H00Q 119.7 . . ?

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
I001 C00H C00K C00G -179.9(4) . . . . ?
N002 C006 C008 N003 1.9(6) . . . . ?
N002 C006 C008 C00E -177.4(4) . . . . ?
N002 C007 C009 N003 0.7(6) . . . . ?
N002 C007 C009 N004 -179.3(3) . . . . ?
N002 C007 C00B C00A 179.7(4) . . . . ?
N002 C007 C00B C00C 0.6(8) . . . . ?
N003 C008 C00E C00I -115.3(4) . . . . ?
N003 C008 C00E C00L 63.3(5) . . . . ?
N004 C00A C00B C007 -0.7(5) . . . . ?
N004 C00A C00B C00C 178.6(4) . . . . ?
N004 C00A C00G C00K -179.7(4) . . . . ?
C005 C006 C008 N003 -176.5(3) . . . . ?
C005 C006 C008 C00E 4.2(6) . . . . ?
C005 C00D C00N C00M 0.2(8) . . . . ?
C005 C00F C00J C00M -0.4(8) . . . . ?
C006 N002 C007 C009 0.9(5) . . . . ?
C006 N002 C007 C00B -178.3(4) . . . . ?
C006 C005 C00D C00N -177.2(4) . . . . ?
C006 C005 C00F C00J 177.2(4) . . . . ?
C006 C008 C00E C00I 64.0(5) . . . . ?
C006 C008 C00E C00L -117.4(4) . . . . ?
C007 N002 C006 C005 176.3(3) . . . . ?
C007 N002 C006 C008 -2.2(5) . . . . ?
C007 C00B C00C C00H -179.2(4) . . . . ?
C008 N003 C009 N004 178.9(4) . . . . ?
C008 N003 C009 C007 -1.1(6) . . . . ?
C008 C00E C00I C00P 178.2(4) . . . . ?
C008 C00E C00L C00Q 179.5(4) . . . . ?
C009 N003 C008 C006 -0.2(5) . . . . ?
C009 N003 C008 C00E 179.2(3) . . . . ?
C009 N004 C00A C00B 0.8(5) . . . . ?
C009 N004 C00A C00G -179.9(4) . . . . ?
C009 C007 C00B C00A 0.3(4) . . . . ?
C009 C007 C00B C00C -178.7(5) . . . . ?
C00A N004 C009 N003 179.4(4) . . . . ?
C00A N004 C009 C007 -0.6(5) . . . . ?
C00A C00B C00C C00H 1.8(6) . . . . ?
C00A C00G C00K C00H 0.7(7) . . . . ?
C00B C007 C009 N003 -179.8(4) . . . . ?
C00B C007 C009 N004 0.1(4) . . . . ?
C00B C00A C00G C00K -0.5(7) . . . . ?
C00B C00C C00H I001 178.7(3) . . . . ?
C00B C00C C00H C00K -1.7(7) . . . . ?
C00C C00H C00K C00G 0.4(7) . . . . ?
C00D C005 C006 N002 54.1(5) . . . . ?
C00D C005 C006 C008 -127.4(4) . . . . ?
C00D C005 C00F C00J 0.4(7) . . . . ?
C00E C00I C00P C00O 2.3(7) . . . . ?
C00E C00L C00Q C00O 2.4(8) . . . . ?
C00F C005 C006 N002 -122.7(4) . . . . ?
C00F C005 C006 C008 55.8(6) . . . . ?
C00F C005 C00D C00N -0.3(7) . . . . ?
C00F C00J C00M C00N 0.3(8) . . . . ?
C00G C00A C00B C007 180.0(4) . . . . ?
C00G C00A C00B C00C -0.8(6) . . . . ?
C00I C00E C00L C00Q -1.9(6) . . . . ?
C00J C00M C00N C00D -0.2(8) . . . . ?
C00L C00E C00I C00P -0.4(6) . . . . ?
C00P C00O C00Q C00L -0.6(8) . . . . ?
C00Q C00O C00P C00I -1.8(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_d6
_database_code_depnum_ccdc_archive 'CCDC 2495311'
_audit_update_record             
;
2025-10-14 deposited with the CCDC.	2026-03-10 downloaded from the CCDC.
;
_audit_creation_date             2025-08-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H15 F2 N3'
_chemical_formula_sum            'C23 H15 F2 N3'
_chemical_formula_weight         371.38
_chemical_absolute_configuration ?
_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'
F F 0.0171 0.0103 '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      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        Fdd2
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   17.7739(11)
_cell_length_b                   34.284(2)
_cell_length_c                   12.0723(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7356.4(8)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    9852
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.58
_shelx_estimated_absorpt_T_max   0.987
_shelx_estimated_absorpt_T_min   0.970
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.5621
_exptl_absorpt_correction_T_min  0.5319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1255 before and 0.0642 after correction.
The Ratio of minimum to maximum transmission is 0.9463.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            56820
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.711
_diffrn_reflns_theta_min         2.709
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           0.95
_diffrn_source_power             0.0475
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.903
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                2827
_reflns_number_total             3491
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.141
_refine_diff_density_min         -0.136
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details 
;
 Flack x determined using 1267 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.2(3)
_refine_ls_extinction_coef       0.0052(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.234
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3491
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      1.234
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0552P)²+4.8901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1267
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C004(H004), N006(H006), C009(H009), C00A(H00A), C00B(H00B), C00C(H00C),
 C00E(H00E), C00F(H00F), C00H(H00H), C00M(H00M), C00P(H00P), C00R(H00R)
2.b Idealised Me refined as rotating group:
 C00S(H00D,H00G,H00I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
F001 F 0.88926(16) 0.49176(10) 0.4388(3) 0.1109(11) Uani 1 1 d . . . . .
F002 F 0.84113(17) 0.71270(10) 0.4317(3) 0.1087(11) Uani 1 1 d . . . . .
N003 N 0.53954(16) 0.62530(8) 0.5358(3) 0.0563(7) Uani 1 1 d . . . . .
C004 C 0.7534(2) 0.55500(11) 0.5669(4) 0.0648(9) Uani 1 1 d . . . . .
H004 H 0.750843 0.573185 0.623955 0.078 Uiso 1 1 calc R U . . .
N005 N 0.55880(17) 0.54288(8) 0.5455(3) 0.0590(7) Uani 1 1 d . . . . .
N006 N 0.42626(17) 0.54238(9) 0.5830(3) 0.0643(8) Uani 1 1 d . . . . .
H006 H 0.419281 0.517661 0.589560 0.077 Uiso 1 1 calc R U . . .
C007 C 0.6901(2) 0.54723(10) 0.5040(3) 0.0579(8) Uani 1 1 d . . . . .
C008 C 0.60688(18) 0.60813(9) 0.5170(3) 0.0531(8) Uani 1 1 d . . . . .
C009 C 0.6752(2) 0.66960(10) 0.5509(3) 0.0629(9) Uani 1 1 d . . . . .
H009 H 0.639894 0.675175 0.605459 0.075 Uiso 1 1 calc R U . . .
C00A C 0.8205(2) 0.53598(12) 0.5457(4) 0.0730(11) Uani 1 1 d . . . . .
H00A H 0.862905 0.540849 0.588679 0.088 Uiso 1 1 calc R U . . .
C00B C 0.7206(2) 0.62860(12) 0.4061(3) 0.0637(9) Uani 1 1 d . . . . .
H00B H 0.716179 0.606243 0.362914 0.076 Uiso 1 1 calc R U . . .
C00C C 0.2523(2) 0.60078(14) 0.6132(4) 0.0759(11) Uani 1 1 d . . . . .
H00C H 0.200780 0.598632 0.625539 0.091 Uiso 1 1 calc R U . . .
C00D C 0.40406(19) 0.60841(10) 0.5783(3) 0.0575(8) Uani 1 1 d . . . . .
C00E C 0.7332(3) 0.69554(12) 0.5315(4) 0.0736(11) Uani 1 1 d . . . . .
H00E H 0.737775 0.718197 0.573293 0.088 Uiso 1 1 calc R U . . .
C00F C 0.3591(2) 0.64166(11) 0.5821(3) 0.0625(9) Uani 1 1 d . . . . .
H00F H 0.380550 0.666209 0.573312 0.075 Uiso 1 1 calc R U . . .
C00G C 0.66880(19) 0.63543(10) 0.4905(3) 0.0537(8) Uani 1 1 d . . . . .
C00H C 0.2945(2) 0.56710(13) 0.6101(4) 0.0731(11) Uani 1 1 d . . . . .
H00H H 0.272545 0.542725 0.619888 0.088 Uiso 1 1 calc R U . . .
C00I C 0.2828(2) 0.63802(13) 0.5988(3) 0.0685(10) Uani 1 1 d . . . . .
C00J C 0.61679(19) 0.56731(9) 0.5230(3) 0.0555(8) Uani 1 1 d . . . . .
C00K C 0.8231(2) 0.51003(13) 0.4608(4) 0.0750(11) Uani 1 1 d . . . . .
C00L C 0.3710(2) 0.57109(11) 0.5917(3) 0.0615(9) Uani 1 1 d . . . . .
C00M C 0.6944(2) 0.51966(12) 0.4199(4) 0.0695(10) Uani 1 1 d . . . . .
H00M H 0.651962 0.513671 0.378275 0.083 Uiso 1 1 calc R U . . .
C00N C 0.4937(2) 0.56042(10) 0.5624(3) 0.0561(8) Uani 1 1 d . . . . .
C00O C 0.48270(19) 0.60126(10) 0.5584(3) 0.0546(8) Uani 1 1 d . . . . .
C00P C 0.7785(2) 0.65465(13) 0.3854(4) 0.0714(11) Uani 1 1 d . . . . .
H00P H 0.813207 0.650037 0.329217 0.086 Uiso 1 1 calc R U . . .
C00Q C 0.7833(2) 0.68719(12) 0.4498(4) 0.0735(11) Uani 1 1 d . . . . .
C00R C 0.7622(3) 0.50104(13) 0.3981(4) 0.0789(13) Uani 1 1 d . . . . .
H00R H 0.765783 0.482741 0.341453 0.095 Uiso 1 1 calc R U . . .
C00S C 0.2323(2) 0.67339(15) 0.6049(4) 0.0837(13) Uani 1 1 d . . . . .
H00D H 0.186897 0.668464 0.564272 0.126 Uiso 1 1 calc R U . . .
H00G H 0.257797 0.695468 0.573528 0.126 Uiso 1 1 calc R U . . .
H00I H 0.220184 0.678731 0.680939 0.126 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
F001 C00K 1.358(5) . ?
F002 C00Q 1.367(4) . ?
N003 C008 1.353(4) . ?
N003 C00O 1.332(4) . ?
C004 H004 0.9300 . ?
C004 C007 1.383(5) . ?
C004 C00A 1.383(6) . ?
N005 C00J 1.356(4) . ?
N005 C00N 1.320(5) . ?
N006 H006 0.8600 . ?
N006 C00L 1.395(5) . ?
N006 C00N 1.372(4) . ?
C007 C00J 1.491(5) . ?
C007 C00M 1.389(5) . ?
C008 C00G 1.480(5) . ?
C008 C00J 1.412(5) . ?
C009 H009 0.9300 . ?
C009 C00E 1.381(5) . ?
C009 C00G 1.385(5) . ?
C00A H00A 0.9300 . ?
C00A C00K 1.358(7) . ?
C00B H00B 0.9300 . ?
C00B C00G 1.393(5) . ?
C00B C00P 1.386(5) . ?
C00C H00C 0.9300 . ?
C00C C00H 1.378(6) . ?
C00C C00I 1.398(7) . ?
C00D C00F 1.393(5) . ?
C00D C00L 1.417(5) . ?
C00D C00O 1.439(5) . ?
C00E H00E 0.9300 . ?
C00E C00Q 1.360(6) . ?
C00F H00F 0.9300 . ?
C00F C00I 1.377(5) . ?
C00H H00H 0.9300 . ?
C00H C00L 1.384(5) . ?
C00I C00S 1.510(6) . ?
C00K C00R 1.357(7) . ?
C00M H00M 0.9300 . ?
C00M C00R 1.388(6) . ?
C00N C00O 1.414(5) . ?
C00P H00P 0.9300 . ?
C00P C00Q 1.362(6) . ?
C00R H00R 0.9300 . ?
C00S H00D 0.9600 . ?
C00S H00G 0.9600 . ?
C00S H00I 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
C00O N003 C008 115.9(3) . . ?
C007 C004 H004 119.7 . . ?
C00A C004 H004 119.7 . . ?
C00A C004 C007 120.6(4) . . ?
C00N N005 C00J 114.6(3) . . ?
C00L N006 H006 125.9 . . ?
C00N N006 H006 125.9 . . ?
C00N N006 C00L 108.1(3) . . ?
C004 C007 C00J 122.5(3) . . ?
C004 C007 C00M 119.2(3) . . ?
C00M C007 C00J 118.3(3) . . ?
N003 C008 C00G 114.8(3) . . ?
N003 C008 C00J 122.2(3) . . ?
C00J C008 C00G 123.0(3) . . ?
C00E C009 H009 119.4 . . ?
C00E C009 C00G 121.1(4) . . ?
C00G C009 H009 119.4 . . ?
C004 C00A H00A 120.7 . . ?
C00K C00A C004 118.6(4) . . ?
C00K C00A H00A 120.7 . . ?
C00G C00B H00B 119.5 . . ?
C00P C00B H00B 119.5 . . ?
C00P C00B C00G 121.0(4) . . ?
C00H C00C H00C 118.3 . . ?
C00H C00C C00I 123.4(4) . . ?
C00I C00C H00C 118.3 . . ?
C00F C00D C00L 119.8(3) . . ?
C00F C00D C00O 134.6(3) . . ?
C00L C00D C00O 105.5(3) . . ?
C009 C00E H00E 120.8 . . ?
C00Q C00E C009 118.5(4) . . ?
C00Q C00E H00E 120.8 . . ?
C00D C00F H00F 120.1 . . ?
C00I C00F C00D 119.7(4) . . ?
C00I C00F H00F 120.1 . . ?
C009 C00G C008 118.8(3) . . ?
C009 C00G C00B 118.2(3) . . ?
C00B C00G C008 122.9(3) . . ?
C00C C00H H00H 121.4 . . ?
C00C C00H C00L 117.2(4) . . ?
C00L C00H H00H 121.4 . . ?
C00C C00I C00S 119.8(4) . . ?
C00F C00I C00C 118.9(4) . . ?
C00F C00I C00S 121.3(4) . . ?
N005 C00J C007 114.2(3) . . ?
N005 C00J C008 121.8(3) . . ?
C008 C00J C007 124.0(3) . . ?
C00A C00K F001 118.7(4) . . ?
C00R C00K F001 118.4(4) . . ?
C00R C00K C00A 122.9(4) . . ?
N006 C00L C00D 109.7(3) . . ?
C00H C00L N006 129.4(4) . . ?
C00H C00L C00D 121.0(4) . . ?
C007 C00M H00M 120.0 . . ?
C00R C00M C007 120.0(4) . . ?
C00R C00M H00M 120.0 . . ?
N005 C00N N006 126.1(3) . . ?
N005 C00N C00O 124.5(3) . . ?
N006 C00N C00O 109.4(3) . . ?
N003 C00O C00D 131.7(3) . . ?
N003 C00O C00N 121.0(3) . . ?
C00N C00O C00D 107.3(3) . . ?
C00B C00P H00P 120.9 . . ?
C00Q C00P C00B 118.1(4) . . ?
C00Q C00P H00P 120.9 . . ?
C00E C00Q F002 118.3(4) . . ?
C00E C00Q C00P 123.0(4) . . ?
C00P C00Q F002 118.7(4) . . ?
C00K C00R C00M 118.8(4) . . ?
C00K C00R H00R 120.6 . . ?
C00M C00R H00R 120.6 . . ?
C00I C00S H00D 109.5 . . ?
C00I C00S H00G 109.5 . . ?
C00I C00S H00I 109.5 . . ?
H00D C00S H00G 109.5 . . ?
H00D C00S H00I 109.5 . . ?
H00G C00S H00I 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
F001 C00K C00R C00M -179.9(4) . . . . ?
N003 C008 C00G C009 42.6(5) . . . . ?
N003 C008 C00G C00B -136.5(4) . . . . ?
N003 C008 C00J N005 1.5(6) . . . . ?
N003 C008 C00J C007 -179.3(3) . . . . ?
C004 C007 C00J N005 -121.9(4) . . . . ?
C004 C007 C00J C008 58.9(6) . . . . ?
C004 C007 C00M C00R -1.7(6) . . . . ?
C004 C00A C00K F001 179.0(4) . . . . ?
C004 C00A C00K C00R -2.1(7) . . . . ?
N005 C00N C00O N003 0.5(6) . . . . ?
N005 C00N C00O C00D 178.6(4) . . . . ?
N006 C00N C00O N003 -177.8(3) . . . . ?
N006 C00N C00O C00D 0.2(4) . . . . ?
C007 C004 C00A C00K 1.1(6) . . . . ?
C007 C00M C00R C00K 0.7(7) . . . . ?
C008 N003 C00O C00D -177.3(4) . . . . ?
C008 N003 C00O C00N 0.2(5) . . . . ?
C009 C00E C00Q F002 -179.2(4) . . . . ?
C009 C00E C00Q C00P 0.8(7) . . . . ?
C00A C004 C007 C00J -179.3(4) . . . . ?
C00A C004 C007 C00M 0.8(6) . . . . ?
C00A C00K C00R C00M 1.3(7) . . . . ?
C00B C00P C00Q F002 178.7(4) . . . . ?
C00B C00P C00Q C00E -1.3(7) . . . . ?
C00C C00H C00L N006 -179.1(4) . . . . ?
C00C C00H C00L C00D 0.9(6) . . . . ?
C00D C00F C00I C00C 0.8(6) . . . . ?
C00D C00F C00I C00S 179.2(4) . . . . ?
C00E C009 C00G C008 178.2(4) . . . . ?
C00E C009 C00G C00B -2.7(6) . . . . ?
C00F C00D C00L N006 179.0(3) . . . . ?
C00F C00D C00L C00H -0.9(6) . . . . ?
C00F C00D C00O N003 -0.4(7) . . . . ?
C00F C00D C00O C00N -178.1(4) . . . . ?
C00G C008 C00J N005 -178.8(3) . . . . ?
C00G C008 C00J C007 0.4(6) . . . . ?
C00G C009 C00E C00Q 1.3(6) . . . . ?
C00G C00B C00P C00Q -0.2(6) . . . . ?
C00H C00C C00I C00F -0.9(7) . . . . ?
C00H C00C C00I C00S -179.3(4) . . . . ?
C00I C00C C00H C00L 0.0(7) . . . . ?
C00J N005 C00N N006 177.8(4) . . . . ?
C00J N005 C00N C00O -0.2(5) . . . . ?
C00J C007 C00M C00R 178.5(4) . . . . ?
C00J C008 C00G C009 -137.1(4) . . . . ?
C00J C008 C00G C00B 43.8(5) . . . . ?
C00L N006 C00N N005 -177.7(4) . . . . ?
C00L N006 C00N C00O 0.6(4) . . . . ?
C00L C00D C00F C00I 0.1(6) . . . . ?
C00L C00D C00O N003 176.8(4) . . . . ?
C00L C00D C00O C00N -0.9(4) . . . . ?
C00M C007 C00J N005 58.0(5) . . . . ?
C00M C007 C00J C008 -121.3(4) . . . . ?
C00N N005 C00J C007 -180.0(3) . . . . ?
C00N N005 C00J C008 -0.7(5) . . . . ?
C00N N006 C00L C00D -1.2(4) . . . . ?
C00N N006 C00L C00H 178.8(4) . . . . ?
C00O N003 C008 C00G 179.1(3) . . . . ?
C00O N003 C008 C00J -1.1(5) . . . . ?
C00O C00D C00F C00I 177.0(4) . . . . ?
C00O C00D C00L N006 1.3(4) . . . . ?
C00O C00D C00L C00H -178.7(4) . . . . ?
C00P C00B C00G C008 -178.8(3) . . . . ?
C00P C00B C00G C009 2.2(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
