# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_CJW_2p
_database_code_depnum_ccdc_archive 'CCDC 1977254'
loop_
_audit_author_name
_audit_author_address
'Peter Horton'
;University of Southampton
United Kingdom
;
_audit_update_record             
;
2020-01-13 deposited with the CCDC.	2020-03-31 downloaded from the CCDC.
;

#2019ncsx0493_1b

_audit_creation_date             2020-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
c.whiteoak@shu.ac.uk
pnh@soton.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H14 N2 O2'
_chemical_formula_sum            'C20 H14 N2 O2'
_chemical_formula_weight         314.33
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H14 N2 O2'
_chemical_oxdiff_usercomment     CW19-1
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                   9.9390(2)
_cell_length_b                   7.7806(2)
_cell_length_c                   19.4608(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.236(2)
_cell_angle_gamma                90
_cell_volume                     1500.82(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13827
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.2290
_cell_measurement_theta_min      2.0500
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.982
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             656
_exptl_crystal_recrystallization_method 
'The material was recrystallised by slow diffusion of pentane into a chloroform solution'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23520
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.698
_diffrn_reflns_theta_min         2.055
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'hybrid pixel detector'
_diffrn_detector_area_resol_mean 10
_diffrn_detector_dtime           0.000
_diffrn_detector_type            'Rigaku, HyPix 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00  22.00   0.50    3.00    --  -13.40 -57.00  60.00  250
  2  ω    -49.00  76.00   0.50    3.00    --  -13.40  60.00-180.00  250
  3  ω   -103.00  76.00   0.50    3.00    --  -13.40 -19.00 -90.00  358
  4  ω   -103.00 -76.00   0.50    3.00    --  -13.40 -60.00-150.00   54
  5  ω    -49.00  76.00   0.50    3.00    --  -13.40  57.00  30.00  250
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_details 'Rigaku, AFC12 κ goniometer'
_diffrn_measurement_device_type  
'Rigaku FRE+ equipped with VHF Varimax confocal mirrors and an AFC12 goniometer and HyPix 6000 detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0373143000
_diffrn_orient_matrix_UB_12      0.0204535000
_diffrn_orient_matrix_UB_13      -0.0286149000
_diffrn_orient_matrix_UB_21      -0.0366347000
_diffrn_orient_matrix_UB_22      -0.0628489000
_diffrn_orient_matrix_UB_23      -0.0200439000
_diffrn_orient_matrix_UB_31      -0.0488397000
_diffrn_orient_matrix_UB_32      0.0627444000
_diffrn_orient_matrix_UB_33      -0.0107870000
_diffrn_radiation_collimation    0.2
_diffrn_radiation_monochromator  'Confocal mirrors, VHF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rigaku FRE+'
_diffrn_source_voltage           45.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3485
_reflns_number_total             3878
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.64
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3878
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0488
_refine_ls_restrained_S_all      1.037
_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)+(0.0622P)²+0.7946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1314
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19),
 C20(H20)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C)
;
_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
O1 O 0.18681(10) 0.71338(14) 0.70331(5) 0.0322(2) Uani 1 1 d . . . . .
O2 O 0.08724(11) 0.21564(15) 0.48034(5) 0.0360(3) Uani 1 1 d . . . . .
N1 N 0.27246(11) 0.68330(15) 0.59785(5) 0.0259(2) Uani 1 1 d . . . . .
N2 N 0.52009(11) 0.60446(14) 0.66389(6) 0.0258(2) Uani 1 1 d . . . . .
C1 C 0.18664(13) 0.63342(18) 0.64870(6) 0.0261(3) Uani 1 1 d . . . . .
C2 C 0.10309(12) 0.48309(18) 0.63123(7) 0.0254(3) Uani 1 1 d . . . . .
C3 C 0.00952(13) 0.40586(19) 0.67288(7) 0.0290(3) Uani 1 1 d . . . . .
H3 H -0.005872 0.452643 0.716703 0.035 Uiso 1 1 calc R U . . .
C4 C -0.05940(14) 0.2608(2) 0.64873(8) 0.0335(3) Uani 1 1 d . . . . .
H4 H -0.121927 0.209510 0.677175 0.040 Uiso 1 1 calc R U . . .
C5 C -0.04174(14) 0.1847(2) 0.58398(8) 0.0340(3) Uani 1 1 d . . . . .
H5 H -0.090356 0.085014 0.568685 0.041 Uiso 1 1 calc R U . . .
C6 C 0.04948(14) 0.26278(19) 0.54442(7) 0.0295(3) Uani 1 1 d . . . . .
C7 C 0.11980(12) 0.40672(18) 0.56842(6) 0.0250(3) Uani 1 1 d . . . . .
C8 C 0.21000(13) 0.46121(19) 0.51979(6) 0.0261(3) Uani 1 1 d . . . . .
C9 C 0.19062(14) 0.3381(2) 0.46009(7) 0.0324(3) Uani 1 1 d . . . . .
H9A H 0.159309 0.399600 0.417340 0.039 Uiso 1 1 calc R U . . .
H9B H 0.275936 0.277716 0.452481 0.039 Uiso 1 1 calc R U . . .
C10 C 0.28654(13) 0.59995(19) 0.53417(6) 0.0259(3) Uani 1 1 d . . . . .
C11 C 0.38225(14) 0.6761(2) 0.48691(7) 0.0323(3) Uani 1 1 d . . . . .
H11A H 0.352302 0.792256 0.473636 0.048 Uiso 1 1 calc R U . . .
H11B H 0.384490 0.604445 0.445603 0.048 Uiso 1 1 calc R U . . .
H11C H 0.472743 0.681651 0.510489 0.048 Uiso 1 1 calc R U . . .
C12 C 0.36454(13) 0.81986(18) 0.61839(7) 0.0266(3) Uani 1 1 d . . . . .
C13 C 0.33022(15) 0.9880(2) 0.60628(8) 0.0340(3) Uani 1 1 d . . . . .
H13 H 0.245257 1.015222 0.583282 0.041 Uiso 1 1 calc R U . . .
C14 C 0.41996(17) 1.1211(2) 0.62766(8) 0.0372(3) Uani 1 1 d . . . . .
H14 H 0.395707 1.237530 0.618752 0.045 Uiso 1 1 calc R U . . .
C15 C 0.54170(16) 1.08269(18) 0.66117(8) 0.0333(3) Uani 1 1 d . . . . .
H15 H 0.601625 1.172949 0.675639 0.040 Uiso 1 1 calc R U . . .
C16 C 0.57985(13) 0.90949(17) 0.67466(6) 0.0255(3) Uani 1 1 d . . . . .
C17 C 0.49042(13) 0.77494(17) 0.65289(6) 0.0231(3) Uani 1 1 d . . . . .
C18 C 0.63592(14) 0.56966(18) 0.69822(7) 0.0294(3) Uani 1 1 d . . . . .
H18 H 0.657161 0.452301 0.707053 0.035 Uiso 1 1 calc R U . . .
C19 C 0.73088(14) 0.6941(2) 0.72285(7) 0.0307(3) Uani 1 1 d . . . . .
H19 H 0.812610 0.660477 0.747590 0.037 Uiso 1 1 calc R U . . .
C20 C 0.70342(14) 0.86322(18) 0.71058(7) 0.0286(3) Uani 1 1 d . . . . .
H20 H 0.766536 0.949155 0.725976 0.034 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 C1 1.2314(17) . ?
O2 C6 1.3782(17) . ?
O2 C9 1.4759(18) . ?
N1 C1 1.4079(16) . ?
N1 C10 1.4148(17) . ?
N1 C12 1.4396(18) . ?
N2 C17 1.3721(17) . ?
N2 C18 1.3158(18) . ?
C1 C2 1.460(2) . ?
C2 C3 1.4123(17) . ?
C2 C7 1.3801(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.415(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(2) . ?
C6 C7 1.383(2) . ?
C7 C8 1.4158(17) . ?
C8 C9 1.507(2) . ?
C8 C10 1.338(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.4937(17) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.368(2) . ?
C12 C17 1.4192(18) . ?
C13 H13 0.9500 . ?
C13 C14 1.410(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.365(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.4191(19) . ?
C16 C17 1.4177(18) . ?
C16 C20 1.414(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.411(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.361(2) . ?
C20 H20 0.9500 . ?

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
C6 O2 C9 108.14(11) . . ?
C1 N1 C10 126.42(12) . . ?
C1 N1 C12 114.46(11) . . ?
C10 N1 C12 118.65(10) . . ?
C18 N2 C17 116.62(12) . . ?
O1 C1 N1 120.34(13) . . ?
O1 C1 C2 124.77(12) . . ?
N1 C1 C2 114.89(11) . . ?
C3 C2 C1 126.48(12) . . ?
C7 C2 C1 116.59(11) . . ?
C7 C2 C3 116.91(13) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.84(13) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 118.2 . . ?
C3 C4 C5 123.55(13) . . ?
C5 C4 H4 118.2 . . ?
C4 C5 H5 121.8 . . ?
C6 C5 C4 116.40(14) . . ?
C6 C5 H5 121.8 . . ?
O2 C6 C7 110.89(12) . . ?
C5 C6 O2 128.65(14) . . ?
C5 C6 C7 120.45(13) . . ?
C2 C7 C6 123.84(12) . . ?
C2 C7 C8 125.92(13) . . ?
C6 C7 C8 110.24(12) . . ?
C7 C8 C9 105.88(12) . . ?
C10 C8 C7 118.69(12) . . ?
C10 C8 C9 135.42(12) . . ?
O2 C9 C8 104.85(11) . . ?
O2 C9 H9A 110.8 . . ?
O2 C9 H9B 110.8 . . ?
C8 C9 H9A 110.8 . . ?
C8 C9 H9B 110.8 . . ?
H9A C9 H9B 108.9 . . ?
N1 C10 C11 117.78(12) . . ?
C8 C10 N1 117.48(11) . . ?
C8 C10 C11 124.71(12) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 N1 120.84(13) . . ?
C13 C12 C17 121.13(13) . . ?
C17 C12 N1 118.02(12) . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.50(14) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.97(14) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.79(14) . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 119.53(13) . . ?
C20 C16 C15 122.93(13) . . ?
C20 C16 C17 117.53(12) . . ?
N2 C17 C12 118.92(12) . . ?
N2 C17 C16 122.99(12) . . ?
C16 C17 C12 118.09(12) . . ?
N2 C18 H18 117.7 . . ?
N2 C18 C19 124.70(13) . . ?
C19 C18 H18 117.7 . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 118.91(13) . . ?
C20 C19 H19 120.5 . . ?
C16 C20 H20 120.4 . . ?
C19 C20 C16 119.23(13) . . ?
C19 C20 H20 120.4 . . ?

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 C1 C2 C3 0.4(2) . . . . ?
O1 C1 C2 C7 -177.92(12) . . . . ?
O2 C6 C7 C2 -179.95(12) . . . . ?
O2 C6 C7 C8 -0.34(16) . . . . ?
N1 C1 C2 C3 179.56(12) . . . . ?
N1 C1 C2 C7 1.22(17) . . . . ?
N1 C12 C13 C14 178.84(12) . . . . ?
N1 C12 C17 N2 1.33(17) . . . . ?
N1 C12 C17 C16 -178.47(11) . . . . ?
N2 C18 C19 C20 -0.4(2) . . . . ?
C1 N1 C10 C8 0.98(19) . . . . ?
C1 N1 C10 C11 179.05(12) . . . . ?
C1 N1 C12 C13 -91.18(15) . . . . ?
C1 N1 C12 C17 87.41(14) . . . . ?
C1 C2 C3 C4 -178.56(12) . . . . ?
C1 C2 C7 C6 179.43(12) . . . . ?
C1 C2 C7 C8 -0.12(19) . . . . ?
C2 C3 C4 C5 -0.2(2) . . . . ?
C2 C7 C8 C9 -179.76(12) . . . . ?
C2 C7 C8 C10 -0.7(2) . . . . ?
C3 C2 C7 C6 0.9(2) . . . . ?
C3 C2 C7 C8 -178.63(12) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
C4 C5 C6 O2 179.21(13) . . . . ?
C4 C5 C6 C7 0.7(2) . . . . ?
C5 C6 C7 C2 -1.2(2) . . . . ?
C5 C6 C7 C8 178.41(12) . . . . ?
C6 O2 C9 C8 0.49(14) . . . . ?
C6 C7 C8 C9 0.63(15) . . . . ?
C6 C7 C8 C10 179.70(12) . . . . ?
C7 C2 C3 C4 -0.22(19) . . . . ?
C7 C8 C9 O2 -0.67(14) . . . . ?
C7 C8 C10 N1 0.29(18) . . . . ?
C7 C8 C10 C11 -177.64(12) . . . . ?
C9 O2 C6 C5 -178.73(14) . . . . ?
C9 O2 C6 C7 -0.12(15) . . . . ?
C9 C8 C10 N1 179.01(14) . . . . ?
C9 C8 C10 C11 1.1(2) . . . . ?
C10 N1 C1 O1 177.45(12) . . . . ?
C10 N1 C1 C2 -1.73(19) . . . . ?
C10 N1 C12 C13 96.19(16) . . . . ?
C10 N1 C12 C17 -85.22(15) . . . . ?
C10 C8 C9 O2 -179.51(14) . . . . ?
C12 N1 C1 O1 5.48(18) . . . . ?
C12 N1 C1 C2 -173.70(11) . . . . ?
C12 N1 C10 C8 172.64(12) . . . . ?
C12 N1 C10 C11 -9.28(18) . . . . ?
C12 C13 C14 C15 -0.5(2) . . . . ?
C13 C12 C17 N2 179.92(12) . . . . ?
C13 C12 C17 C16 0.12(19) . . . . ?
C13 C14 C15 C16 0.3(2) . . . . ?
C14 C15 C16 C17 0.1(2) . . . . ?
C14 C15 C16 C20 -178.48(13) . . . . ?
C15 C16 C17 N2 179.88(12) . . . . ?
C15 C16 C17 C12 -0.34(18) . . . . ?
C15 C16 C20 C19 178.40(13) . . . . ?
C17 N2 C18 C19 -1.2(2) . . . . ?
C17 C12 C13 C14 0.3(2) . . . . ?
C17 C16 C20 C19 -0.25(19) . . . . ?
C18 N2 C17 C12 -177.67(12) . . . . ?
C18 N2 C17 C16 2.12(18) . . . . ?
C18 C19 C20 C16 1.1(2) . . . . ?
C20 C16 C17 N2 -1.43(18) . . . . ?
C20 C16 C17 C12 178.36(11) . . . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder in perfluoroether oil'
_olex2_submission_original_sample_id CW19-1
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 2.278
_oxdiff_exptl_absorpt_empirical_full_min 0.580
