# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_20190505_ea
_database_code_depnum_ccdc_archive 'CCDC 1915063'
_audit_update_record             
;
2020-04-14 deposited with the CCDC.	2020-04-15 downloaded from the CCDC.
;
_audit_creation_date             2019-05-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H23 N3 O5'
_chemical_formula_sum            'C21 H23 N3 O5'
_chemical_formula_weight         397.42
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.9699(3)
_cell_length_b                   10.2021(3)
_cell_length_c                   14.9823(8)
_cell_angle_alpha                72.265(4)
_cell_angle_beta                 77.347(4)
_cell_angle_gamma                82.211(4)
_cell_volume                     987.37(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9478
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.4710
_cell_measurement_theta_min      3.1180
_shelx_estimated_absorpt_T_max   0.976
_shelx_estimated_absorpt_T_min   0.796
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19048
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.981
_diffrn_reflns_theta_min         3.153
_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 0.992
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  46.00   0.50    0.50    --    0.00  57.00 150.00  132
  2  ω    -10.00  27.00   0.50    0.50    --    0.00 -77.00 150.00   74
  3  ω    -89.00 -31.00   0.50    0.50    --    0.00 -38.00 -30.00  116
  4  ω     51.00  83.00   0.50    0.50    --    0.00  38.00-120.00   64
  5  ω     -5.00  25.00   0.50    0.50    --    0.00 -77.00  30.00   60
  6  ω     56.00  84.00   0.50    0.50    --    0.00  57.00 150.00   56
  7  ω    -45.00 -12.00   0.50    0.50    --    0.00 -77.00 150.00   66
  8  ω    -19.00  16.00   0.50    0.50    --    0.00 -38.00 -30.00   70
  9  ω    -14.00  45.00   0.50    0.50    --    0.00  38.00-120.00  118
 10  ω    -13.00  60.00   0.50    0.50    --    0.00  38.00   0.00  146
 11  ω     43.00  88.00   0.50    0.50    --    0.00  38.00 -90.00   90
 12  ω    -36.00 -11.00   0.50    0.50    --    0.00 -77.00  30.00   50
 13  ω     76.00 144.00   0.50    0.50    --   94.60  47.00  -0.87  136
 14  ω     71.00 179.00   0.50    0.50    --   94.60  64.00 156.95  216
 15  ω     69.00  95.00   0.50    0.50    --   94.60  67.00-137.28   52
 16  ω    134.00 160.00   0.50    0.50    --   94.60  58.00 -95.51   52
 17  ω     72.00  98.00   0.50    0.50    --   94.60  58.00 -95.51   52
 18  ω    103.00 129.00   0.50    0.50    --   94.60  71.00  61.52   52
 19  ω    147.00 173.00   0.50    0.50    --   94.60  64.00-111.77   52
 20  ω    104.00 184.00   0.50    0.50    --   94.60  73.00 -90.71  160
 21  ω     68.00  95.00   0.50    0.50    --   94.60  73.00 -90.71   54
 22  ω    156.00 182.00   0.50    0.50    --   94.60  63.00 -45.96   52
 23  ω     67.00  94.00   0.50    0.50    --   94.60  71.00 117.73   54
 24  ω     68.00 121.00   0.50    0.50    --   94.60  70.00 135.74  106
 25  ω    124.00 172.00   0.50    0.50    --   94.60  70.00 135.74   96
 26  ω     68.00  94.00   0.50    0.50    --   94.60  69.00-177.00   52
 27  ω      6.00 106.00   0.50    0.50    --   94.60 -61.00 -60.00  200
 28  ω      6.00 116.00   0.50    0.50    --   94.60 -82.00-180.00  220
 29  ω    100.00 126.00   0.50    0.50    --   94.60  74.00  31.41   52
 30  ω     30.00 124.00   0.50    0.50    --   94.60 -82.00  30.00  188
 31  ω     67.00  92.00   0.50    0.50    --   94.60  74.00  31.41   50
 32  ω    115.00 147.00   0.50    0.50    --   94.60  63.00 -45.96   64
 33  ω     67.00  93.00   0.50    0.50    --   94.60  71.00  61.52   52
 34  ω      7.00 120.00   0.50    0.50    --   94.60 -82.00 -60.00  226
 35  ω     69.00  95.00   0.50    0.50    --   94.60  67.00 -89.35   52
 36  ω     71.00 144.00   0.50    0.50    --   94.60  62.00  31.07  146
 37  ω     71.00 106.00   0.50    0.50    --   94.60  63.00 -45.96   70
 38  ω     71.00  97.00   0.50    0.50    --   94.60  61.00   0.00   52
 39  ω     71.00  96.00   0.50    0.50    --   94.60  61.00-180.00   50
 40  ω     73.00 154.00   0.50    0.50    --   94.60  61.00  60.00  162
 41  ω     71.00  98.00   0.50    0.50    --   94.60  61.00 -30.00   54
 42  ω     73.00 158.00   0.50    0.50    --   94.60  61.00  90.00  170
 43  ω    101.00 183.00   0.50    0.50    --   94.60  65.00   5.93  164
 44  ω     71.00 178.00   0.50    0.50    --   94.60  61.00-150.00  214
 45  ω     67.00  93.00   0.50    0.50    --   94.60  73.00-115.77   52
 46  ω     71.00 112.00   0.50    0.50    --   94.60  61.00-120.00   82
 47  ω     72.00 107.00   0.50    0.50    --   94.60  61.00 -90.00   70
 48  ω     48.00 106.00   0.50    0.50    --   94.60 -61.00-180.00  116
 49  ω     71.00 103.00   0.50    0.50    --   94.60  61.00 -60.00   64
 50  ω     76.00 103.00   0.50    0.50    --   94.60  45.00-150.00   54
 51  ω     70.00  96.00   0.50    0.50    --   94.60  65.00   5.93   52
 52  ω    125.00 164.00   0.50    0.50    --   94.60  67.00-137.28   78
 53  ω     67.00  93.00   0.50    0.50    --   94.60  71.00  94.40   52
 54  ω    107.00 132.00   0.50    0.50    --   94.60  64.00-111.77   50
 55  ω     71.00 104.00   0.50    0.50    --   94.60  61.00 120.00   66
 56  ω     43.00 109.00   0.50    0.50    --   94.60 -82.00 120.00  132
 57  ω     71.00  96.00   0.50    0.50    --   94.60  64.00-111.77   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0738004000
_diffrn_orient_matrix_UB_12      -0.0237117000
_diffrn_orient_matrix_UB_13      0.1080326000
_diffrn_orient_matrix_UB_21      -0.2131210000
_diffrn_orient_matrix_UB_22      0.0400559000
_diffrn_orient_matrix_UB_23      -0.0167893000
_diffrn_orient_matrix_UB_31      -0.0270590000
_diffrn_orient_matrix_UB_32      -0.1520073000
_diffrn_orient_matrix_UB_33      0.0114179000
_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                3461
_reflns_number_total             3913
_reflns_odcompleteness_completeness 99.60
_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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (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         0.235
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3913
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0553
_refine_ls_restrained_S_all      1.055
_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)+(0.0717P)²+0.8539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1545
_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 Riding coordinates:
 N1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12a,H12b), C20(H20a,H20b), C23(H23a,H23b), C27(H27a,H27b)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), N16(H16), C2(H2), C17(H17), C25(H25), C19(H19), C21(H21), C26(H26)
2.d Idealised Me refined as rotating group:
 C28(H28a,H28b,H28c), C29(H29a,H29b,H29c)
;
_atom_sites_solution_hydrogens   mixed
_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
O3 O 0.2038(2) 1.18084(15) 0.58489(10) 0.0303(3) Uani 1 1 d . . . . .
O6 O 0.3605(2) 1.25365(15) 0.43916(10) 0.0302(3) Uani 1 1 d . . . . .
O4 O 0.3080(2) 0.48477(14) 0.26292(10) 0.0271(3) Uani 1 1 d . . . . .
O7 O 0.05279(19) 0.49564(14) 0.38167(10) 0.0270(3) Uani 1 1 d . . . . .
C9 C 0.2663(3) 1.0300(2) 0.49198(14) 0.0235(4) Uani 1 1 d . . . . .
C10 C 0.3360(3) 0.8866(2) 0.38810(13) 0.0227(4) Uani 1 1 d . . . . .
N11 N 0.2772(2) 1.16309(17) 0.50598(12) 0.0243(4) Uani 1 1 d . . . . .
C8 C 0.3462(3) 1.0119(2) 0.40275(14) 0.0230(4) Uani 1 1 d . . . . .
H8 H 0.405601 1.083364 0.353722 0.028 Uiso 1 1 calc R . . . .
N16 N 0.2339(2) 0.65566(17) 0.44446(11) 0.0246(4) Uani 1 1 d . . . . .
H16 H 0.165878 0.593195 0.487055 0.029 Uiso 1 1 calc R . . . .
C13 C 0.2449(3) 0.77785(19) 0.46195(14) 0.0226(4) Uani 1 1 d . . . . .
C2 C 0.1681(3) 0.8000(2) 0.55090(14) 0.0237(4) Uani 1 1 d . . . . .
H2 H 0.109396 0.728943 0.600523 0.028 Uiso 1 1 calc R . . . .
N1 N 0.1487(2) 0.80768(16) 0.25244(11) 0.0234(3) Uani 1 1 d . . . . .
H1 H 0.046283 0.774918 0.307338 0.028 Uiso 1 1 d R . . . .
C15 C 0.3337(3) 0.62932(19) 0.35614(14) 0.0230(4) Uani 1 1 d . . . . .
C5 C 0.2129(3) 0.52923(19) 0.33662(13) 0.0233(4) Uani 1 1 d . . . . .
C17 C 0.1776(3) 0.9252(2) 0.56667(14) 0.0246(4) Uani 1 1 d . . . . .
H17 H 0.125740 0.938982 0.626099 0.029 Uiso 1 1 calc R . . . .
C12 C 0.5070(3) 0.7351(2) 0.19439(14) 0.0265(4) Uani 1 1 d . . . . .
H12A H 0.573397 0.817828 0.157612 0.032 Uiso 1 1 calc R . . . .
H12B H 0.454717 0.700671 0.151624 0.032 Uiso 1 1 calc R . . . .
C14 C 0.3426(3) 0.7654(2) 0.27256(13) 0.0232(4) Uani 1 1 d . . . . .
C25 C -0.1048(3) 0.9701(2) 0.18802(15) 0.0282(4) Uani 1 1 d . . . . .
H25 H -0.197259 0.918782 0.235964 0.034 Uiso 1 1 calc R . . . .
C18 C 0.0963(3) 0.9299(2) 0.18486(13) 0.0240(4) Uani 1 1 d . . . . .
C19 C 0.2298(3) 1.0109(2) 0.11313(15) 0.0303(4) Uani 1 1 d . . . . .
H19 H 0.364431 0.987754 0.109579 0.036 Uiso 1 1 calc R . . . .
C20 C 0.5530(3) 0.5769(2) 0.35243(15) 0.0279(4) Uani 1 1 d . . . . .
H20A H 0.612563 0.616267 0.390216 0.033 Uiso 1 1 calc R . . . .
H20B H 0.566302 0.477135 0.376748 0.033 Uiso 1 1 calc R . . . .
C21 C -0.1679(3) 1.0849(2) 0.12092(16) 0.0320(5) Uani 1 1 d . . . . .
H21 H -0.302466 1.108292 0.124279 0.038 Uiso 1 1 calc R . . . .
C22 C -0.0357(4) 1.1664(2) 0.04852(15) 0.0338(5) Uani 1 1 d . . . . .
C23 C 0.2124(3) 0.3889(2) 0.23616(15) 0.0296(4) Uani 1 1 d . . . . .
H23A H 0.089805 0.431630 0.216277 0.036 Uiso 1 1 calc R . . . .
H23B H 0.183716 0.307452 0.289612 0.036 Uiso 1 1 calc R . . . .
O24 O 0.42436(19) 0.86783(14) 0.30129(9) 0.0238(3) Uani 1 1 d . . . . .
C26 C 0.1630(3) 1.1262(2) 0.04666(15) 0.0339(5) Uani 1 1 d . . . . .
H26 H 0.255186 1.178435 -0.000869 0.041 Uiso 1 1 calc R . . . .
C27 C 0.6512(3) 0.6240(2) 0.24677(16) 0.0315(5) Uani 1 1 d . . . . .
H27A H 0.677203 0.546494 0.220064 0.038 Uiso 1 1 calc R . . . .
H27B H 0.775300 0.662457 0.239970 0.038 Uiso 1 1 calc R . . . .
C28 C 0.3532(4) 0.3508(3) 0.15531(18) 0.0449(6) Uani 1 1 d . . . . .
H28A H 0.379789 0.432274 0.102918 0.067 Uiso 1 1 calc GR . . . .
H28B H 0.295988 0.286587 0.135274 0.067 Uiso 1 1 calc GR . . . .
H28C H 0.474000 0.309230 0.175905 0.067 Uiso 1 1 calc GR . . . .
C29 C -0.1053(4) 1.2916(3) -0.02459(17) 0.0449(6) Uani 1 1 d . . . . .
H29A H -0.090357 1.270947 -0.084215 0.067 Uiso 1 1 calc GR . . . .
H29B H -0.028129 1.367139 -0.033065 0.067 Uiso 1 1 calc GR . . . .
H29C H -0.241604 1.316415 -0.002964 0.067 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
O3 N11 1.238(2) . ?
O6 N11 1.233(2) . ?
O4 C5 1.329(2) . ?
O4 C23 1.447(2) . ?
O7 C5 1.205(2) . ?
C9 N11 1.450(2) . ?
C9 C8 1.388(3) . ?
C9 C17 1.387(3) . ?
C10 C8 1.374(3) . ?
C10 C13 1.412(3) . ?
C10 O24 1.370(2) . ?
N16 C13 1.365(2) . ?
N16 C15 1.439(2) . ?
C13 C2 1.397(3) . ?
C2 C17 1.380(3) . ?
N1 C14 1.430(2) . ?
N1 C18 1.408(2) . ?
C15 C5 1.536(3) . ?
C15 C14 1.559(3) . ?
C15 C20 1.544(3) . ?
C12 C14 1.522(3) . ?
C12 C27 1.551(3) . ?
C14 O24 1.465(2) . ?
C25 C18 1.401(3) . ?
C25 C21 1.383(3) . ?
C18 C19 1.390(3) . ?
C19 C26 1.391(3) . ?
C20 C27 1.535(3) . ?
C21 C22 1.392(3) . ?
C22 C26 1.387(3) . ?
C22 C29 1.510(3) . ?
C23 C28 1.498(3) . ?

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
C5 O4 C23 117.41(15) . . ?
C8 C9 N11 118.12(17) . . ?
C17 C9 N11 119.95(17) . . ?
C17 C9 C8 121.93(18) . . ?
C8 C10 C13 120.95(18) . . ?
O24 C10 C8 118.28(17) . . ?
O24 C10 C13 120.70(17) . . ?
O3 N11 C9 118.60(16) . . ?
O6 N11 O3 122.63(16) . . ?
O6 N11 C9 118.77(16) . . ?
C10 C8 C9 118.88(18) . . ?
C13 N16 C15 121.28(16) . . ?
N16 C13 C10 119.46(17) . . ?
N16 C13 C2 122.26(18) . . ?
C2 C13 C10 118.28(18) . . ?
C17 C2 C13 121.38(18) . . ?
C18 N1 C14 125.28(16) . . ?
N16 C15 C5 106.96(15) . . ?
N16 C15 C14 110.62(15) . . ?
N16 C15 C20 115.13(16) . . ?
C5 C15 C14 108.96(15) . . ?
C5 C15 C20 112.24(15) . . ?
C20 C15 C14 102.83(15) . . ?
O4 C5 C15 111.04(15) . . ?
O7 C5 O4 124.26(17) . . ?
O7 C5 C15 124.70(17) . . ?
C2 C17 C9 118.57(18) . . ?
C14 C12 C27 105.59(16) . . ?
N1 C14 C15 108.75(15) . . ?
N1 C14 C12 119.15(16) . . ?
N1 C14 O24 112.79(15) . . ?
C12 C14 C15 105.00(15) . . ?
O24 C14 C15 107.75(14) . . ?
O24 C14 C12 102.62(14) . . ?
C21 C25 C18 121.01(19) . . ?
C25 C18 N1 117.69(17) . . ?
C19 C18 N1 124.60(18) . . ?
C19 C18 C25 117.67(18) . . ?
C18 C19 C26 120.3(2) . . ?
C27 C20 C15 105.64(16) . . ?
C25 C21 C22 121.8(2) . . ?
C21 C22 C29 121.7(2) . . ?
C26 C22 C21 116.6(2) . . ?
C26 C22 C29 121.7(2) . . ?
O4 C23 C28 106.51(17) . . ?
C10 O24 C14 116.04(14) . . ?
C22 C26 C19 122.5(2) . . ?
C20 C27 C12 107.30(16) . . ?

_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 2.907
_oxdiff_exptl_absorpt_empirical_full_min 0.421
