# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_1289
_database_code_depnum_ccdc_archive 'CCDC 2108849'
_audit_update_record             
;
2021-09-09 deposited with the CCDC.	2022-01-04 downloaded from the CCDC.
;
_audit_creation_date             2020-07-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H23 N2 O2'
_chemical_formula_sum            'C18 H23 N2 O2'
_chemical_formula_weight         299.38
_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'
O O 0.0492 0.0322 '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                   10.7806(2)
_cell_length_b                   10.9499(2)
_cell_length_c                   14.5775(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.9640(10)
_cell_angle_gamma                90
_cell_volume                     1676.96(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12304
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.8110
_cell_measurement_theta_min      4.6490
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
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    1.186
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35256
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.061
_diffrn_reflns_theta_max         67.061
_diffrn_reflns_theta_min         5.100
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     52.00  78.00   1.00    1.00    --    0.00  38.00   0.00   26
  2  ω    -19.00  41.00   1.00    1.00    --    0.00  38.00  90.00   60
  3  ω    -19.00  35.00   1.00    1.00    --    0.00  38.00 -60.00   54
  4  ω    -23.00  24.00   1.00    1.00    --    0.00  19.00 -90.00   47
  5  ω    -17.00   8.00   1.00    1.00    --    0.00  57.00 -90.00   25
  6  ω     40.00  66.00   1.00    1.00    --    0.00  38.00 -60.00   26
  7  ω     48.00  77.00   1.00    1.00    --    0.00  38.00  90.00   29
  8  ω    -30.00  77.00   1.00    1.00    --    0.00  77.00-180.00  107
  9  ω    -18.00  50.00   1.00    1.00    --    0.00  38.00   0.00   68
 10  ω     29.00  54.00   1.00    1.00    --    0.00  57.00 -90.00   25
 11  ω    -21.00  89.00   1.00    1.00    --    0.00  57.00 120.00  110
 12  ω    126.00 152.00   1.00    1.00    --   95.80  82.00-178.58   26
 13  ω     65.00  90.00   1.00    1.00    --   95.80  76.00  -0.59   25
 14  ω     48.00 119.00   1.00    1.00    --   95.80 -61.00  90.00   71
 15  ω     63.00  95.00   1.00    1.00    --   95.80  82.00-178.58   32
 16  ω     65.00  90.00   1.00    1.00    --   95.80  78.00-154.00   25
 17  ω    125.00 180.00   1.00    1.00    --   95.80  74.00 -98.52   55
 18  ω    134.00 160.00   1.00    1.00    --   95.80  50.00  83.84   26
 19  ω      6.00 128.00   1.00    1.00    --   95.80 -82.00   0.00  122
 20  ω     67.00 179.00   1.00    1.00    --   95.80  71.00  31.35  112
 21  ω      6.00 128.00   1.00    1.00    --   95.80 -82.00-120.00  122
 22  ω     67.00  95.00   1.00    1.00    --   95.80  77.00 -60.00   28
 23  ω    124.00 150.00   1.00    1.00    --   95.80  77.00 -60.00   26
 24  ω     64.00  90.00   1.00    1.00    --   95.80  82.00  30.00   26
 25  ω     94.00 119.00   1.00    1.00    --   95.80  82.00  30.00   25
 26  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 -30.00   26
 27  ω     65.00  92.00   1.00    1.00    --   95.80  77.00 -30.00   27
 28  ω     67.00  93.00   1.00    1.00    --   95.80  82.00  90.00   26
 29  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 120.00   26
 30  ω     65.00 125.00   1.00    1.00    --   95.80  77.00 -90.00   60
 31  ω     66.00  97.00   1.00    1.00    --   95.80  77.00-128.80   31
 32  ω     66.00 110.00   1.00    1.00    --   95.80  74.00 -98.52   44
 33  ω      7.00 119.00   1.00    1.00    --   95.80 -61.00   0.00  112
 34  ω     71.00 172.00   1.00    1.00    --   95.80  58.00 107.39  101
 35  ω     71.00 101.00   1.00    1.00    --   95.80  61.00  30.00   30
 36  ω     65.00  90.00   1.00    1.00    --   95.80  77.00-180.00   25
 37  ω     63.00  88.00   1.00    1.00    --   95.80  82.00-150.00   25
 38  ω     65.00  90.00   1.00    1.00    --   95.80  77.00  60.00   25
 39  ω     71.00 100.00   1.00    1.00    --   95.80  61.00  90.00   29
 40  ω    111.00 163.00   1.00    1.00    --   95.80  61.00  90.00   52
 41  ω     71.00  97.00   1.00    1.00    --   95.80  61.00 150.00   26
 42  ω     65.00  91.00   1.00    1.00    --   95.80  77.00  30.00   26
 43  ω     66.00  92.00   1.00    1.00    --   95.80  77.00  90.00   26
 44  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 120.00   25
 45  ω     65.00  91.00   1.00    1.00    --   95.80  82.00 -90.00   26
 46  ω     64.00  95.00   1.00    1.00    --   95.80  82.00 -60.00   31
 47  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 150.00   26
 48  ω     76.00 185.00   1.00    1.00    --   95.80  45.00 -30.00  109
 49  ω     75.00 169.00   1.00    1.00    --   95.80  45.00   0.00   94
 50  ω     75.00 100.00   1.00    1.00    --   95.80  45.00  30.00   25
 51  ω     71.00 144.00   1.00    1.00    --   95.80  61.00 120.00   73
 52  ω     21.00 100.00   1.00    1.00    --   95.80 -61.00-120.00   79
 53  ω     63.00  95.00   1.00    1.00    --   95.80  82.00-120.00   32
 54  ω     79.00 128.00   1.00    1.00    --   95.80 -82.00  90.00   49
 55  ω     74.00 135.00   1.00    1.00    --   95.80  48.00 152.07   61
 56  ω     73.00 185.00   1.00    1.00    --   95.80  53.00-127.45  112
 57  ω     75.00 185.00   1.00    1.00    --   95.80  45.00-150.00  110
 58  ω     74.00 100.00   1.00    1.00    --   95.80  50.00  83.84   26
 59  ω     79.00 104.00   1.00    1.00    --   95.80  30.00-150.00   25
 60  ω     59.00  99.00   1.00    1.00    --   95.80 -82.00-180.00   40
 61  ω     67.00  93.00   1.00    1.00    --   95.80  72.00 148.40   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0441985000
_diffrn_orient_matrix_UB_12      0.0325393000
_diffrn_orient_matrix_UB_13      0.1051075000
_diffrn_orient_matrix_UB_21      0.1357811000
_diffrn_orient_matrix_UB_22      0.0226129000
_diffrn_orient_matrix_UB_23      -0.0135669000
_diffrn_orient_matrix_UB_31      -0.0332386000
_diffrn_orient_matrix_UB_32      0.1350224000
_diffrn_orient_matrix_UB_33      -0.0230130000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2678
_reflns_number_total             2975
_reflns_odcompleteness_completeness 100.00
_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 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         2975
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0350
_refine_ls_restrained_S_all      1.023
_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)+(0.0325P)²+0.6568P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0854
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C1(H1A), C2(H2), C5(H5), C4(H4)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.81310(8) 0.90229(8) 0.40286(6) 0.0223(2) Uani 1 1 d . . . . .
O2 O 0.72456(9) 1.23266(8) 0.78331(6) 0.0259(2) Uani 1 1 d . . . . .
N2 N 0.74287(9) 1.14509(9) 0.72897(6) 0.0180(2) Uani 1 1 d . . . . .
N1 N 0.80135(13) 0.85708(10) 0.55242(8) 0.0324(3) Uani 1 1 d . . . . .
H1 H 0.802436 0.797907 0.591389 0.039 Uiso 1 1 calc R . . . .
C7 C 0.80976(11) 0.82670(11) 0.46490(8) 0.0191(3) Uani 1 1 d . . . . .
C1 C 0.78071(11) 0.64733(11) 0.35568(8) 0.0192(3) Uani 1 1 d . . . . .
H1A H 0.757324 0.701985 0.305962 0.023 Uiso 1 1 calc R . . . .
C2 C 0.78258(11) 0.52324(11) 0.33726(8) 0.0197(3) Uani 1 1 d . . . . .
H2 H 0.760988 0.495380 0.275459 0.024 Uiso 1 1 calc R . . . .
C6 C 0.81342(11) 0.69140(11) 0.44779(8) 0.0184(3) Uani 1 1 d . . . . .
C3 C 0.81676(12) 0.43985(11) 0.41113(8) 0.0209(3) Uani 1 1 d . . . . .
C17 C 0.82007(12) 0.31004(12) 0.39564(8) 0.0236(3) Uani 1 1 d . . . . .
C8 C 0.79056(13) 0.97974(11) 0.58836(9) 0.0258(3) Uani 1 1 d . . . . .
H8 H 0.804190 1.040616 0.542328 0.031 Uiso 1 1 calc R . . . .
C10 C 0.87855(12) 1.11752(11) 0.73006(9) 0.0222(3) Uani 1 1 d . . . . .
C18 C 0.82390(14) 0.20178(13) 0.38827(9) 0.0275(3) Uani 1 1 d . . . . .
C5 C 0.84835(14) 0.60777(12) 0.52110(9) 0.0276(3) Uani 1 1 d . . . . .
H5 H 0.870850 0.635658 0.582874 0.033 Uiso 1 1 calc R . . . .
C12 C 0.65796(13) 0.99386(12) 0.60707(9) 0.0259(3) Uani 1 1 d . . . . .
H12A H 0.644471 0.928566 0.648736 0.031 Uiso 1 1 calc R . . . .
H12B H 0.596058 0.983604 0.548033 0.031 Uiso 1 1 calc R . . . .
C11 C 0.63220(12) 1.11541(12) 0.65052(8) 0.0229(3) Uani 1 1 d . . . . .
C9 C 0.88815(12) 0.99596(12) 0.68037(9) 0.0242(3) Uani 1 1 d . . . . .
H9A H 0.972610 0.989269 0.667972 0.029 Uiso 1 1 calc R . . . .
H9B H 0.878319 0.929923 0.722526 0.029 Uiso 1 1 calc R . . . .
C4 C 0.84997(14) 0.48434(12) 0.50322(9) 0.0295(3) Uani 1 1 d . . . . .
H4 H 0.873465 0.429920 0.553080 0.035 Uiso 1 1 calc R . . . .
C16 C 0.61177(15) 1.21979(13) 0.57849(9) 0.0339(3) Uani 1 1 d . . . . .
H16A H 0.609610 1.296202 0.610380 0.051 Uiso 1 1 calc GR . . . .
H16B H 0.532605 1.207865 0.533713 0.051 Uiso 1 1 calc GR . . . .
H16C H 0.680312 1.220607 0.546319 0.051 Uiso 1 1 calc GR . . . .
C13 C 0.94860(13) 1.10734(14) 0.83320(10) 0.0351(3) Uani 1 1 d . . . . .
H13A H 0.952500 1.186259 0.862390 0.053 Uiso 1 1 calc GR . . . .
H13B H 1.033368 1.077694 0.836844 0.053 Uiso 1 1 calc GR . . . .
H13C H 0.903941 1.051657 0.865190 0.053 Uiso 1 1 calc GR . . . .
C14 C 0.93418(15) 1.22206(13) 0.68240(11) 0.0365(4) Uani 1 1 d . . . . .
H14A H 0.895639 1.222399 0.616299 0.055 Uiso 1 1 calc GR . . . .
H14B H 1.024436 1.211030 0.691296 0.055 Uiso 1 1 calc GR . . . .
H14C H 0.917373 1.298360 0.709705 0.055 Uiso 1 1 calc GR . . . .
C15 C 0.51581(13) 1.10302(14) 0.69297(11) 0.0353(3) Uani 1 1 d . . . . .
H15A H 0.533027 1.044426 0.743217 0.053 Uiso 1 1 calc GR . . . .
H15B H 0.444386 1.076152 0.645347 0.053 Uiso 1 1 calc GR . . . .
H15C H 0.496725 1.180689 0.717089 0.053 Uiso 1 1 calc GR . . . .
H18 H 0.8248(16) 0.1134(17) 0.3840(12) 0.045(5) Uiso 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 C7 1.2325(14) . ?
O2 N2 1.2870(12) . ?
N2 C10 1.4901(15) . ?
N2 C11 1.4915(15) . ?
N1 H1 0.8600 . ?
N1 C7 1.3411(16) . ?
N1 C8 1.4559(16) . ?
C7 C6 1.5044(17) . ?
C1 H1A 0.9300 . ?
C1 C2 1.3861(17) . ?
C1 C6 1.3956(17) . ?
C2 H2 0.9300 . ?
C2 C3 1.3967(17) . ?
C6 C5 1.3936(17) . ?
C3 C17 1.4409(18) . ?
C3 C4 1.3972(17) . ?
C17 C18 1.1919(19) . ?
C8 H8 0.9800 . ?
C8 C12 1.5220(19) . ?
C8 C9 1.5181(19) . ?
C10 C9 1.5300(17) . ?
C10 C13 1.5277(19) . ?
C10 C14 1.5296(18) . ?
C18 H18 0.970(18) . ?
C5 H5 0.9300 . ?
C5 C4 1.3773(19) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C11 1.5261(17) . ?
C11 C16 1.5340(18) . ?
C11 C15 1.5245(19) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C4 H4 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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
O2 N2 C10 115.47(9) . . ?
O2 N2 C11 115.31(9) . . ?
C10 N2 C11 125.34(9) . . ?
C7 N1 H1 116.6 . . ?
C7 N1 C8 126.80(11) . . ?
C8 N1 H1 116.6 . . ?
O1 C7 N1 123.43(11) . . ?
O1 C7 C6 122.24(10) . . ?
N1 C7 C6 114.32(10) . . ?
C2 C1 H1A 119.5 . . ?
C2 C1 C6 120.91(11) . . ?
C6 C1 H1A 119.5 . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.29(11) . . ?
C3 C2 H2 119.9 . . ?
C1 C6 C7 119.32(11) . . ?
C5 C6 C7 122.18(11) . . ?
C5 C6 C1 118.50(11) . . ?
C2 C3 C17 122.38(11) . . ?
C2 C3 C4 118.63(11) . . ?
C4 C3 C17 118.98(11) . . ?
C18 C17 C3 176.24(13) . . ?
N1 C8 H8 110.2 . . ?
N1 C8 C12 108.19(11) . . ?
N1 C8 C9 109.29(11) . . ?
C12 C8 H8 110.2 . . ?
C9 C8 H8 110.2 . . ?
C9 C8 C12 108.81(10) . . ?
N2 C10 C9 109.98(10) . . ?
N2 C10 C13 107.01(10) . . ?
N2 C10 C14 109.12(10) . . ?
C13 C10 C9 109.36(11) . . ?
C13 C10 C14 110.12(11) . . ?
C14 C10 C9 111.16(10) . . ?
C17 C18 H18 177.8(10) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.82(11) . . ?
C4 C5 H5 119.6 . . ?
C8 C12 H12A 108.4 . . ?
C8 C12 H12B 108.4 . . ?
C8 C12 C11 115.38(11) . . ?
H12A C12 H12B 107.5 . . ?
C11 C12 H12A 108.4 . . ?
C11 C12 H12B 108.4 . . ?
N2 C11 C12 108.63(10) . . ?
N2 C11 C16 109.26(10) . . ?
N2 C11 C15 107.32(10) . . ?
C12 C11 C16 112.16(10) . . ?
C15 C11 C12 109.50(11) . . ?
C15 C11 C16 109.83(11) . . ?
C8 C9 C10 114.39(11) . . ?
C8 C9 H9A 108.7 . . ?
C8 C9 H9B 108.7 . . ?
C10 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.84(12) . . ?
C5 C4 H4 119.6 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

_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 2.355
_oxdiff_exptl_absorpt_empirical_full_min 0.567
