# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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).
# 
# 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_xray_0211
_audit_block_doi                 10.5517/ccdc.csd.cc1z6v56
_database_code_depnum_ccdc_archive 'CCDC 1823828'
_audit_update_record             
;
2018-02-13 deposited with the CCDC.
2018-02-28 downloaded from the CCDC.
;
_audit_creation_date             2018-02-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H20 N2'
_chemical_formula_sum            'C23 H20 N2'
_chemical_formula_weight         324.41
_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 0.0181 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'

_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                   19.4749(19)
_cell_length_b                   10.8598(8)
_cell_length_c                   8.3747(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.699(8)
_cell_angle_gamma                90
_cell_volume                     1755.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1896
_cell_measurement_temperature    120
_cell_measurement_theta_max      69.8650
_cell_measurement_theta_min      4.5880
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.553
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    1.228
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6373
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.699
_diffrn_reflns_theta_min         4.582
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      120
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    118.00 145.00   1.00    1.00    --  108.00  50.00  30.00   27
  2  ω    148.00 175.00   1.00    1.00    --  108.00  50.00  30.00   27
  3  ω    115.00 172.00   1.00    1.00    --  108.00 111.00   0.00   57
  4  ω    130.00 175.00   1.00    1.00    --  108.00 111.00 150.00   45
  5  ω    112.00 173.00   1.00    1.00    --  108.00  63.00 150.00   61
  6  ω     90.00 163.00   1.00    1.00    --  108.00  77.00 120.00   73
  7  ω     93.00 178.00   1.00    1.00    --  108.00  50.00  90.00   85
  8  ω     77.00 104.00   1.00    1.00    --  108.00-111.00-120.00   27
  9  ω     52.00  78.00   1.00    1.00    --   54.00 -38.00 -90.00   26
 10  ω     42.00 107.00   1.00    1.00    --  108.00-111.00   0.00   65
 11  ω     60.00 130.00   1.00    1.00    --  108.00 -50.00   0.00   70
 12  ω     28.00 117.00   1.00    1.00    --   54.00  38.00-150.00   89
 13  ω     39.00  68.00   1.00    1.00    --    0.00  38.00 -60.00   29
 14  ω      1.00  30.00   1.00    1.00    --    0.00  38.00 -60.00   29
 15  ω    -17.00  78.00   1.00    1.00    --   54.00 -38.00  30.00   95
 16  ω     23.00  86.00   1.00    1.00    --   54.00-125.00 -90.00   63
 17  ω    -72.00 -32.00   1.00    1.00    --    0.00 -38.00 150.00   40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0013136000
_diffrn_orient_matrix_UB_12      0.0234692000
_diffrn_orient_matrix_UB_13      0.1809682000
_diffrn_orient_matrix_UB_21      -0.0526976000
_diffrn_orient_matrix_UB_22      0.1047465000
_diffrn_orient_matrix_UB_23      -0.0412522000
_diffrn_orient_matrix_UB_31      -0.0598428000
_diffrn_orient_matrix_UB_32      -0.0929672000
_diffrn_orient_matrix_UB_33      -0.0007815000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2600
_reflns_number_total             3251
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.168
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3251
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.056
_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)+(0.0516P)²+0.5974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1196
_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:
 N2(H2), C1(H1), C2(H2A), C4(H4), C5(H5), C8(H8), C12(H12), C13(H13), C15(H15),
  C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
2.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
N1 N 0.16214(7) 0.38422(13) 0.14274(15) 0.0219(3) Uani 1 1 d . . . . .
N2 N 0.11662(7) 0.23108(13) 0.29721(16) 0.0237(3) Uani 1 1 d . . . . .
H2 H 0.1256 0.1865 0.3823 0.028 Uiso 1 1 calc R . . . .
C1 C 0.01564(8) 0.29049(16) 0.09984(19) 0.0244(4) Uani 1 1 d . . . . .
H1 H 0.0344 0.3677 0.0849 0.029 Uiso 1 1 calc R . . . .
C2 C -0.04919(9) 0.25907(16) 0.01887(19) 0.0260(4) Uani 1 1 d . . . . .
H2A H -0.0732 0.3162 -0.0501 0.031 Uiso 1 1 calc R . . . .
C3 C -0.07894(9) 0.14457(17) 0.03848(18) 0.0262(4) Uani 1 1 d . . . . .
C4 C -0.04148(9) 0.06076(17) 0.14123(19) 0.0270(4) Uani 1 1 d . . . . .
H4 H -0.0602 -0.0166 0.1558 0.032 Uiso 1 1 calc R . . . .
C5 C 0.02315(9) 0.09031(16) 0.22235(19) 0.0250(4) Uani 1 1 d . . . . .
H5 H 0.0474 0.0327 0.2901 0.030 Uiso 1 1 calc R . . . .
C6 C 0.05211(8) 0.20595(16) 0.20310(18) 0.0227(4) Uani 1 1 d . . . . .
C7 C 0.16689(8) 0.31476(15) 0.27449(18) 0.0209(3) Uani 1 1 d . . . . .
C8 C 0.22480(8) 0.32001(15) 0.39834(18) 0.0220(4) Uani 1 1 d . . . . .
H8 H 0.2255 0.2696 0.4883 0.026 Uiso 1 1 calc R . . . .
C9 C 0.27887(8) 0.39715(15) 0.38735(17) 0.0207(3) Uani 1 1 d . . . . .
C10 C 0.27525(8) 0.47645(15) 0.24805(18) 0.0202(3) Uani 1 1 d . . . . .
C11 C 0.21553(8) 0.46570(15) 0.13122(18) 0.0203(3) Uani 1 1 d . . . . .
C12 C 0.21035(9) 0.54398(16) -0.00479(19) 0.0257(4) Uani 1 1 d . . . . .
H12 H 0.1720 0.5376 -0.0835 0.031 Uiso 1 1 calc R . . . .
C13 C 0.26083(9) 0.62920(16) -0.02285(19) 0.0262(4) Uani 1 1 d . . . . .
H13 H 0.2561 0.6793 -0.1137 0.031 Uiso 1 1 calc R . . . .
C14 C 0.31960(9) 0.64213(15) 0.09354(19) 0.0240(4) Uani 1 1 d . . . . .
C15 C 0.32576(8) 0.56544(15) 0.22566(19) 0.0229(4) Uani 1 1 d . . . . .
H15 H 0.3646 0.5726 0.3028 0.028 Uiso 1 1 calc R . . . .
C16 C -0.14907(9) 0.11071(18) -0.0507(2) 0.0336(4) Uani 1 1 d . . . . .
H16A H -0.1826 0.1084 0.0236 0.050 Uiso 1 1 calc GR . . . .
H16B H -0.1464 0.0312 -0.0996 0.050 Uiso 1 1 calc GR . . . .
H16C H -0.1628 0.1710 -0.1327 0.050 Uiso 1 1 calc GR . . . .
C17 C 0.33751(8) 0.40115(14) 0.52062(18) 0.0218(4) Uani 1 1 d . . . . .
C18 C 0.40618(9) 0.38596(16) 0.4939(2) 0.0262(4) Uani 1 1 d . . . . .
H18 H 0.4163 0.3741 0.3895 0.031 Uiso 1 1 calc R . . . .
C19 C 0.45928(9) 0.38839(18) 0.6212(2) 0.0333(4) Uani 1 1 d . . . . .
H19 H 0.5048 0.3781 0.6017 0.040 Uiso 1 1 calc R . . . .
C20 C 0.44531(10) 0.40600(18) 0.7777(2) 0.0357(5) Uani 1 1 d . . . . .
H20 H 0.4813 0.4083 0.8628 0.043 Uiso 1 1 calc R . . . .
C21 C 0.37727(10) 0.42016(18) 0.8063(2) 0.0338(4) Uani 1 1 d . . . . .
H21 H 0.3674 0.4315 0.9109 0.041 Uiso 1 1 calc R . . . .
C22 C 0.32393(9) 0.41750(16) 0.67918(19) 0.0274(4) Uani 1 1 d . . . . .
H22 H 0.2784 0.4267 0.6995 0.033 Uiso 1 1 calc R . . . .
C23 C 0.37386(10) 0.73791(17) 0.0735(2) 0.0325(4) Uani 1 1 d . . . . .
H23A H 0.3932 0.7223 -0.0242 0.049 Uiso 1 1 calc GR . . . .
H23B H 0.4099 0.7342 0.1636 0.049 Uiso 1 1 calc GR . . . .
H23C H 0.3530 0.8182 0.0683 0.049 Uiso 1 1 calc GR . . . .


_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
N1 C7 1.329(2) . ?
N1 C11 1.379(2) . ?
N2 H2 0.8600 . ?
N2 C6 1.417(2) . ?
N2 C7 1.368(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.393(2) . ?
C1 C6 1.389(2) . ?
C2 H2A 0.9300 . ?
C2 C3 1.391(2) . ?
C3 C4 1.390(2) . ?
C3 C16 1.512(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(2) . ?
C7 C8 1.427(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.358(2) . ?
C9 C10 1.444(2) . ?
C9 C17 1.487(2) . ?
C10 C11 1.421(2) . ?
C10 C15 1.409(2) . ?
C11 C12 1.414(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.373(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.408(2) . ?
C14 C15 1.377(2) . ?
C14 C23 1.508(2) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.395(2) . ?
C17 C22 1.400(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.382(2) . ?
C19 H19 0.9300 . ?
C19 C20 1.388(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.386(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.384(2) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
C7 N1 C11 116.93(14) . . ?
C6 N2 H2 114.8 . . ?
C7 N2 H2 114.8 . . ?
C7 N2 C6 130.42(14) . . ?
C2 C1 H1 120.1 . . ?
C6 C1 H1 120.1 . . ?
C6 C1 C2 119.70(16) . . ?
C1 C2 H2A 119.1 . . ?
C3 C2 C1 121.75(16) . . ?
C3 C2 H2A 119.1 . . ?
C2 C3 C16 121.49(16) . . ?
C4 C3 C2 117.77(15) . . ?
C4 C3 C16 120.73(16) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.24(16) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.45(16) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 N2 124.06(15) . . ?
C1 C6 C5 119.07(15) . . ?
C5 C6 N2 116.81(15) . . ?
N1 C7 N2 121.39(14) . . ?
N1 C7 C8 122.74(14) . . ?
N2 C7 C8 115.86(14) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.31(14) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 C10 117.91(14) . . ?
C8 C9 C17 119.45(14) . . ?
C10 C9 C17 122.58(14) . . ?
C11 C10 C9 117.01(14) . . ?
C15 C10 C9 123.84(15) . . ?
C15 C10 C11 119.10(14) . . ?
N1 C11 C10 124.06(14) . . ?
N1 C11 C12 117.98(14) . . ?
C12 C11 C10 117.96(14) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.27(15) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.25(15) . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C23 120.58(14) . . ?
C15 C14 C13 118.12(15) . . ?
C15 C14 C23 121.31(15) . . ?
C10 C15 H15 118.9 . . ?
C14 C15 C10 122.29(16) . . ?
C14 C15 H15 118.9 . . ?
C3 C16 H16A 109.5 . . ?
C3 C16 H16B 109.5 . . ?
C3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C9 122.17(14) . . ?
C18 C17 C22 118.32(15) . . ?
C22 C17 C9 119.49(15) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.53(16) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.68(17) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.42(17) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.08(16) . . ?
C22 C21 H21 120.0 . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 120.96(16) . . ?
C21 C22 H22 119.5 . . ?
C14 C23 H23A 109.5 . . ?
C14 C23 H23B 109.5 . . ?
C14 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
N1 C7 C8 C9 -0.2(2) . . . . ?
N1 C11 C12 C13 178.66(15) . . . . ?
N2 C7 C8 C9 178.25(14) . . . . ?
C1 C2 C3 C4 -0.6(2) . . . . ?
C1 C2 C3 C16 -179.54(15) . . . . ?
C2 C1 C6 N2 -176.60(14) . . . . ?
C2 C1 C6 C5 0.6(2) . . . . ?
C2 C3 C4 C5 0.4(2) . . . . ?
C3 C4 C5 C6 0.3(2) . . . . ?
C4 C5 C6 N2 176.59(14) . . . . ?
C4 C5 C6 C1 -0.8(2) . . . . ?
C6 N2 C7 N1 -4.5(3) . . . . ?
C6 N2 C7 C8 177.05(15) . . . . ?
C6 C1 C2 C3 0.1(2) . . . . ?
C7 N1 C11 C10 2.0(2) . . . . ?
C7 N1 C11 C12 -177.56(14) . . . . ?
C7 N2 C6 C1 -24.7(3) . . . . ?
C7 N2 C6 C5 157.98(15) . . . . ?
C7 C8 C9 C10 1.6(2) . . . . ?
C7 C8 C9 C17 178.91(14) . . . . ?
C8 C9 C10 C11 -1.2(2) . . . . ?
C8 C9 C10 C15 176.39(15) . . . . ?
C8 C9 C17 C18 127.11(17) . . . . ?
C8 C9 C17 C22 -51.2(2) . . . . ?
C9 C10 C11 N1 -0.7(2) . . . . ?
C9 C10 C11 C12 178.92(14) . . . . ?
C9 C10 C15 C14 -177.98(15) . . . . ?
C9 C17 C18 C19 -179.01(16) . . . . ?
C9 C17 C22 C21 179.21(16) . . . . ?
C10 C9 C17 C18 -55.7(2) . . . . ?
C10 C9 C17 C22 125.96(17) . . . . ?
C10 C11 C12 C13 -0.9(2) . . . . ?
C11 N1 C7 N2 -179.96(14) . . . . ?
C11 N1 C7 C8 -1.6(2) . . . . ?
C11 C10 C15 C14 -0.5(2) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C12 C13 C14 C15 1.0(2) . . . . ?
C12 C13 C14 C23 -178.77(16) . . . . ?
C13 C14 C15 C10 -0.6(2) . . . . ?
C15 C10 C11 N1 -178.33(14) . . . . ?
C15 C10 C11 C12 1.2(2) . . . . ?
C16 C3 C4 C5 179.34(15) . . . . ?
C17 C9 C10 C11 -178.38(14) . . . . ?
C17 C9 C10 C15 -0.8(2) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C18 C17 C22 C21 0.8(3) . . . . ?
C18 C19 C20 C21 0.6(3) . . . . ?
C19 C20 C21 C22 -0.4(3) . . . . ?
C20 C21 C22 C17 -0.3(3) . . . . ?
C22 C17 C18 C19 -0.7(3) . . . . ?
C23 C14 C15 C10 179.10(15) . . . . ?

_olex2_date_sample_data_collection 2018-02-11
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.549
_oxdiff_exptl_absorpt_empirical_full_min 0.611
