# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_law_zxx-159-7-20210524-rt
_database_code_depnum_ccdc_archive 'CCDC 2089433'
loop_
_audit_author_name
_audit_author_address
gzp-zxx
;wuhan university
China
;
_audit_update_record             
;
2021-06-11 deposited with the CCDC.	2022-04-21 downloaded from the CCDC.
;
_audit_creation_date             2021-06-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H21 N O2'
_chemical_formula_sum            'C15 H21 N O2'
_chemical_formula_weight         247.33
_chemical_melting_point          ?
_chemical_oxdiff_formula         'H C N O'
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                   9.77660(10)
_cell_length_b                   13.9140(2)
_cell_length_c                   21.1903(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.7580(10)
_cell_angle_gamma                90
_cell_volume                     2856.17(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    13522
_cell_measurement_temperature    274(2)
_cell_measurement_theta_max      71.5480
_cell_measurement_theta_min      3.2140
_shelx_estimated_absorpt_T_max   0.982
_shelx_estimated_absorpt_T_min   0.971
_exptl_absorpt_coefficient_mu    0.600
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            50596
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.709
_diffrn_reflns_theta_min         3.811
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      274(2)
_diffrn_detector                 'Hybrid Pixel Counting (HPC) detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HyPix-6000HE'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -84.00  38.00   0.50    0.50    --    5.00 -57.00 -30.00  244
  2  ω    -32.00  94.00   0.50    0.50    --    5.00  38.00 -60.00  252
  3  ω    -80.00  42.00   0.50    0.50    --  -47.10  57.00-180.00  244
  4  ω   -136.00 -14.00   0.50    0.50    --  -47.10 -57.00  60.00  244
  5  ω   -130.00  -8.00   0.50    0.50    --  -97.00  57.00-150.00  244
  6  ω   -186.00 -64.00   0.50    0.50    --  -97.00 -57.00  90.00  244
  7  ω   -130.00  -8.00   0.50    0.50    --  -97.00  57.00  90.00  244
  8  ω   -186.00 -64.00   0.50    0.50    --  -97.00 -57.00 120.00  244
  9  ω   -186.00 -60.00   0.50    0.50    --  -97.00 -38.00   0.00  252
 10  ω   -186.00 -60.00   0.50    0.50    --  -97.00 -38.00 -30.00  252
 11  ω   -135.00  -8.00   0.50    0.50    --  -97.00  76.00-180.00  254
 12  ω   -186.00 -64.00   0.50    0.50    --  -97.00 -57.00 -60.00  244
 13  ω   -186.00 -59.00   0.50    0.50    --  -97.00 -76.00  90.00  254
 14  ω   -135.00  -8.00   0.50    0.50    --  -97.00  76.00 -90.00  254
 15  ω   -135.00  -8.00   0.50    0.50    --  -97.00  76.00-150.00  254
 16  ω   -186.00 -59.00   0.50    0.50    --  -97.00 -76.00 120.00  254
 17  ω   -136.00 -14.00   0.50    0.50    --  -47.10 -57.00-180.00  244
 18  ω   -136.00  -9.00   0.50    0.50    --  -47.10 -76.00-180.00  254
 19  ω   -136.00  -9.00   0.50    0.50    --  -47.10 -76.00   0.00  254
 20  ω   -136.00  -9.00   0.50    0.50    --  -47.10 -76.00 -60.00  254
 21  ω   -186.00 -84.00   0.50    0.50    --  -97.00 -57.00-150.00  204
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'profile data from ω-scans and φ-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0407187000
_diffrn_orient_matrix_UB_12      -0.0445007000
_diffrn_orient_matrix_UB_13      -0.0664420000
_diffrn_orient_matrix_UB_21      0.0433712000
_diffrn_orient_matrix_UB_22      0.0932809000
_diffrn_orient_matrix_UB_23      -0.0310665000
_diffrn_orient_matrix_UB_31      0.1475205000
_diffrn_orient_matrix_UB_32      -0.0397131000
_diffrn_orient_matrix_UB_33      0.0014876000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'VariMax VHF'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_target            Cu
_diffrn_source_type              'Rigaku MicroMax-007HF'
_diffrn_source_voltage           40.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4234
_reflns_number_total             5527
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     39.93
_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 1.171.39.46 (Rigaku Oxford Diffraction, 2018)'
_computing_data_collection       
'CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)'
_computing_data_reduction        
'CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)'
_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    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.173
_refine_diff_density_min         -0.158
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5527
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0490
_refine_ls_restrained_S_all      1.048
_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)+(0.0693P)²+0.5031P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1451
_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:
 C7(H7), C24(H24), C13(H13), C28(H28)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C23(H23A,H23B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2A), C19(H19), C4(H4), C1(H1A), C16(H16), C17(H17), C2(H2),
 C18(H18), C3(H3)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C25(H25A,H25B,H25C), C11(H11A,H11B,H11C), C26(H26A,H26B,
 H26C), C15(H15A,H15B,H15C), C30(H30A,H30B,H30C), C14(H14A,H14B,H14C), C29(H29A,
 H29B,H29C)
;
_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 0.52462(11) 0.23111(8) 0.11401(5) 0.0615(3) Uani 1 1 d . . . . .
O3 O 0.01816(11) 0.29890(9) 0.11011(5) 0.0624(3) Uani 1 1 d . . . . .
O4 O -0.03736(10) 0.26375(10) 0.31930(5) 0.0706(4) Uani 1 1 d . . . . .
O2 O 0.46447(10) 0.28599(10) 0.32296(5) 0.0705(4) Uani 1 1 d . . . . .
N1 N 0.69012(12) 0.28384(11) 0.36100(5) 0.0576(4) Uani 1 1 d . . . . .
H1 H 0.772260 0.278520 0.351125 0.069 Uiso 1 1 calc R . . . .
N2 N 0.18849(12) 0.26028(11) 0.35754(5) 0.0578(4) Uani 1 1 d . . . . .
H2A H 0.271100 0.264746 0.348114 0.069 Uiso 1 1 calc R . . . .
C20 C 0.10794(13) 0.20357(11) 0.20266(7) 0.0492(4) Uani 1 1 d . . . . .
C12 C 0.58535(13) 0.27659(11) 0.31448(6) 0.0495(3) Uani 1 1 d . . . . .
C27 C 0.08438(13) 0.27053(11) 0.31102(6) 0.0498(4) Uani 1 1 d . . . . .
C21 C 0.05912(14) 0.21333(11) 0.13811(7) 0.0528(4) Uani 1 1 d . . . . .
C6 C 0.55774(14) 0.32028(12) 0.13866(7) 0.0524(4) Uani 1 1 d . . . . .
C5 C 0.60220(13) 0.33713(11) 0.20315(7) 0.0502(4) Uani 1 1 d . . . . .
C7 C 0.62507(13) 0.25396(11) 0.24911(6) 0.0485(3) Uani 1 1 d . . . . .
H7 H 0.723511 0.237767 0.254494 0.058 Uiso 1 1 calc R . . . .
C24 C 0.12455(13) 0.29108(11) 0.24531(6) 0.0484(3) Uani 1 1 d . . . . .
H24 H 0.221893 0.310215 0.250628 0.058 Uiso 1 1 calc R . . . .
C9 C 0.56989(15) 0.14827(11) 0.15257(7) 0.0531(4) Uani 1 1 d . . . . .
C22 C 0.05988(15) 0.38648(12) 0.14456(7) 0.0555(4) Uani 1 1 d . . . . .
C13 C 0.67560(15) 0.30028(13) 0.42797(7) 0.0571(4) Uani 1 1 d . . . . .
H13 H 0.577319 0.309535 0.430967 0.068 Uiso 1 1 calc R . . . .
C8 C 0.54467(15) 0.16673(12) 0.22090(7) 0.0552(4) Uani 1 1 d . . . . .
H8A H 0.572252 0.110606 0.246663 0.066 Uiso 1 1 calc R . . . .
H8B H 0.446858 0.177130 0.221825 0.066 Uiso 1 1 calc R . . . .
C23 C 0.03926(15) 0.37372(12) 0.21401(7) 0.0553(4) Uani 1 1 d . . . . .
H23A H 0.065071 0.432613 0.237078 0.066 Uiso 1 1 calc R . . . .
H23B H -0.057633 0.361758 0.216448 0.066 Uiso 1 1 calc R . . . .
C28 C 0.17118(16) 0.24183(14) 0.42394(7) 0.0615(4) Uani 1 1 d . . . . .
H28 H 0.077320 0.217536 0.424690 0.074 Uiso 1 1 calc R . . . .
C19 C 0.14029(17) 0.11178(13) 0.22556(9) 0.0654(4) Uani 1 1 d . . . . .
H19 H 0.172815 0.103796 0.268548 0.078 Uiso 1 1 calc R . . . .
C4 C 0.62697(18) 0.43188(13) 0.22216(9) 0.0679(5) Uani 1 1 d . . . . .
H4 H 0.656324 0.444764 0.264911 0.081 Uiso 1 1 calc R . . . .
C10 C 0.72139(17) 0.13219(14) 0.14741(8) 0.0665(4) Uani 1 1 d . . . . .
H10A H 0.731636 0.114980 0.104423 0.100 Uiso 1 1 calc GR . . . .
H10B H 0.756397 0.081288 0.175647 0.100 Uiso 1 1 calc GR . . . .
H10C H 0.772047 0.190123 0.158876 0.100 Uiso 1 1 calc GR . . . .
C1 C 0.54121(17) 0.39604(14) 0.09573(8) 0.0680(5) Uani 1 1 d . . . . .
H1A H 0.512939 0.384019 0.052772 0.082 Uiso 1 1 calc R . . . .
C16 C 0.04529(17) 0.13324(14) 0.09841(8) 0.0684(5) Uani 1 1 d . . . . .
H16 H 0.013846 0.140417 0.055249 0.082 Uiso 1 1 calc R . . . .
C25 C 0.20962(17) 0.40626(14) 0.13667(8) 0.0680(5) Uani 1 1 d . . . . .
H25A H 0.265399 0.352011 0.151697 0.102 Uiso 1 1 calc GR . . . .
H25B H 0.241221 0.462226 0.160852 0.102 Uiso 1 1 calc GR . . . .
H25C H 0.216768 0.417033 0.092489 0.102 Uiso 1 1 calc GR . . . .
C17 C 0.07821(19) 0.04338(15) 0.12311(11) 0.0790(6) Uani 1 1 d . . . . .
H17 H 0.068181 -0.010102 0.096569 0.095 Uiso 1 1 calc R . . . .
C2 C 0.5665(2) 0.48894(15) 0.11647(11) 0.0802(6) Uani 1 1 d . . . . .
H2 H 0.554495 0.539495 0.087543 0.096 Uiso 1 1 calc R . . . .
C18 C 0.1258(2) 0.03219(14) 0.18667(11) 0.0801(5) Uani 1 1 d . . . . .
H18 H 0.147926 -0.028570 0.203277 0.096 Uiso 1 1 calc R . . . .
C3 C 0.6095(2) 0.50720(15) 0.17976(11) 0.0833(6) Uani 1 1 d . . . . .
H3 H 0.626534 0.569921 0.193828 0.100 Uiso 1 1 calc R . . . .
C11 C 0.4816(2) 0.06663(15) 0.12331(9) 0.0820(6) Uani 1 1 d . . . . .
H11A H 0.386391 0.079876 0.126446 0.123 Uiso 1 1 calc GR . . . .
H11B H 0.508557 0.008085 0.145541 0.123 Uiso 1 1 calc GR . . . .
H11C H 0.493680 0.059987 0.079305 0.123 Uiso 1 1 calc GR . . . .
C26 C -0.0349(2) 0.46331(16) 0.11272(9) 0.0844(6) Uani 1 1 d . . . . .
H26A H -0.027265 0.465039 0.068042 0.127 Uiso 1 1 calc GR . . . .
H26B H -0.009066 0.524641 0.131403 0.127 Uiso 1 1 calc GR . . . .
H26C H -0.128433 0.449018 0.118517 0.127 Uiso 1 1 calc GR . . . .
C15 C 0.7500(3) 0.38950(19) 0.45137(10) 0.1032(8) Uani 1 1 d . . . . .
H15A H 0.846964 0.381652 0.449724 0.155 Uiso 1 1 calc GR . . . .
H15B H 0.734943 0.401654 0.494498 0.155 Uiso 1 1 calc GR . . . .
H15C H 0.715877 0.442695 0.424966 0.155 Uiso 1 1 calc GR . . . .
C30 C 0.2692(3) 0.1668(2) 0.45194(11) 0.1090(8) Uani 1 1 d . . . . .
H30A H 0.250069 0.107470 0.429362 0.163 Uiso 1 1 calc GR . . . .
H30B H 0.258992 0.157831 0.495971 0.163 Uiso 1 1 calc GR . . . .
H30C H 0.362006 0.186678 0.448567 0.163 Uiso 1 1 calc GR . . . .
C14 C 0.7233(3) 0.21438(19) 0.46658(10) 0.1227(10) Uani 1 1 d . . . . .
H14A H 0.667720 0.159922 0.451847 0.184 Uiso 1 1 calc GR . . . .
H14B H 0.715023 0.226297 0.510525 0.184 Uiso 1 1 calc GR . . . .
H14C H 0.818118 0.201486 0.462297 0.184 Uiso 1 1 calc GR . . . .
C29 C 0.1853(3) 0.33347(19) 0.46087(10) 0.1253(10) Uani 1 1 d . . . . .
H29A H 0.279545 0.354608 0.465388 0.188 Uiso 1 1 calc GR . . . .
H29B H 0.158273 0.323122 0.502244 0.188 Uiso 1 1 calc GR . . . .
H29C H 0.126997 0.381635 0.438713 0.188 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
O1 C6 1.3679(19) . ?
O1 C9 1.4471(18) . ?
O3 C21 1.3659(19) . ?
O3 C22 1.4505(19) . ?
O4 C27 1.2299(16) . ?
O2 C12 1.2261(16) . ?
N1 H1 0.8600 . ?
N1 C12 1.3261(18) . ?
N1 C13 1.4631(17) . ?
N2 H2A 0.8600 . ?
N2 C27 1.3256(18) . ?
N2 C28 1.4624(18) . ?
C20 C21 1.393(2) . ?
C20 C24 1.512(2) . ?
C20 C19 1.388(2) . ?
C12 C7 1.5212(18) . ?
C27 C24 1.5240(18) . ?
C21 C16 1.392(2) . ?
C6 C5 1.397(2) . ?
C6 C1 1.388(2) . ?
C5 C7 1.510(2) . ?
C5 C4 1.390(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.524(2) . ?
C24 H24 0.9800 . ?
C24 C23 1.519(2) . ?
C9 C8 1.5229(19) . ?
C9 C10 1.517(2) . ?
C9 C11 1.508(2) . ?
C22 C23 1.522(2) . ?
C22 C25 1.521(2) . ?
C22 C26 1.512(2) . ?
C13 H13 0.9800 . ?
C13 C15 1.489(3) . ?
C13 C14 1.487(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C28 H28 0.9800 . ?
C28 C30 1.485(3) . ?
C28 C29 1.493(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.376(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.376(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C1 H1A 0.9300 . ?
C1 C2 1.377(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C17 H17 0.9300 . ?
C17 C18 1.373(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.374(3) . ?
C18 H18 0.9300 . ?
C3 H3 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 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
C6 O1 C9 117.92(11) . . ?
C21 O3 C22 117.88(11) . . ?
C12 N1 H1 117.7 . . ?
C12 N1 C13 124.52(11) . . ?
C13 N1 H1 117.7 . . ?
C27 N2 H2A 118.1 . . ?
C27 N2 C28 123.88(12) . . ?
C28 N2 H2A 118.1 . . ?
C21 C20 C24 120.22(13) . . ?
C19 C20 C21 117.71(14) . . ?
C19 C20 C24 122.08(14) . . ?
O2 C12 N1 123.09(13) . . ?
O2 C12 C7 121.67(12) . . ?
N1 C12 C7 115.23(11) . . ?
O4 C27 N2 123.12(13) . . ?
O4 C27 C24 121.22(12) . . ?
N2 C27 C24 115.66(11) . . ?
O3 C21 C20 123.57(13) . . ?
O3 C21 C16 115.88(14) . . ?
C16 C21 C20 120.52(16) . . ?
O1 C6 C5 123.51(14) . . ?
O1 C6 C1 115.98(14) . . ?
C1 C6 C5 120.48(16) . . ?
C6 C5 C7 120.13(14) . . ?
C4 C5 C6 117.50(15) . . ?
C4 C5 C7 122.35(14) . . ?
C12 C7 H7 108.0 . . ?
C12 C7 C8 109.91(11) . . ?
C5 C7 C12 113.28(12) . . ?
C5 C7 H7 108.0 . . ?
C5 C7 C8 109.50(11) . . ?
C8 C7 H7 108.0 . . ?
C20 C24 C27 112.02(12) . . ?
C20 C24 H24 108.2 . . ?
C20 C24 C23 109.89(11) . . ?
C27 C24 H24 108.2 . . ?
C23 C24 C27 110.30(11) . . ?
C23 C24 H24 108.2 . . ?
O1 C9 C8 109.03(12) . . ?
O1 C9 C10 107.69(12) . . ?
O1 C9 C11 104.67(13) . . ?
C10 C9 C8 112.24(13) . . ?
C11 C9 C8 111.15(13) . . ?
C11 C9 C10 111.68(15) . . ?
O3 C22 C23 108.88(12) . . ?
O3 C22 C25 107.83(12) . . ?
O3 C22 C26 104.81(13) . . ?
C25 C22 C23 112.48(13) . . ?
C26 C22 C23 111.13(13) . . ?
C26 C22 C25 111.33(15) . . ?
N1 C13 H13 107.9 . . ?
N1 C13 C15 110.26(14) . . ?
N1 C13 C14 110.10(15) . . ?
C15 C13 H13 107.9 . . ?
C14 C13 H13 107.9 . . ?
C14 C13 C15 112.57(18) . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 C7 111.48(11) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C24 C23 C22 111.95(12) . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N2 C28 H28 107.8 . . ?
N2 C28 C30 110.81(14) . . ?
N2 C28 C29 109.87(16) . . ?
C30 C28 H28 107.8 . . ?
C30 C28 C29 112.46(18) . . ?
C29 C28 H28 107.8 . . ?
C20 C19 H19 119.0 . . ?
C18 C19 C20 122.07(17) . . ?
C18 C19 H19 119.0 . . ?
C5 C4 H4 118.9 . . ?
C3 C4 C5 122.11(18) . . ?
C3 C4 H4 118.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C1 H1A 119.9 . . ?
C2 C1 C6 120.26(17) . . ?
C2 C1 H1A 119.9 . . ?
C21 C16 H16 120.0 . . ?
C17 C16 C21 119.91(17) . . ?
C17 C16 H16 120.0 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.45(18) . . ?
C18 C17 H17 119.8 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.22(18) . . ?
C3 C2 H2 119.9 . . ?
C19 C18 H18 120.3 . . ?
C17 C18 C19 119.34(19) . . ?
C17 C18 H18 120.3 . . ?
C4 C3 H3 120.3 . . ?
C2 C3 C4 119.42(19) . . ?
C2 C3 H3 120.3 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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 1.492
_oxdiff_exptl_absorpt_empirical_full_min 0.494
