# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2019

data_ev2031
_audit_creation_date               2018-11-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3510 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2016/4'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C25 H28 N2 O3'
_chemical_formula_sum              'C25 H28 N2 O3'
_chemical_formula_weight           404.49
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C25 H28 N2 O3'
_chemical_oxdiff_usercomment       TN-001R48B
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/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                     13.4238(5)
_cell_length_b                     10.0908(3)
_cell_length_c                     16.9778(7)
_cell_angle_alpha                  90
_cell_angle_beta                   96.486(4)
_cell_angle_gamma                  90
_cell_volume                       2285.05(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      8698
_cell_measurement_temperature      294
_cell_measurement_theta_max        21.9590
_cell_measurement_theta_min        2.7200
_shelx_estimated_absorpt_T_max     0.988
_shelx_estimated_absorpt_T_min     0.981
_exptl_absorpt_coefficient_mu      0.077
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.73733
_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      1.176
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               864
_exptl_crystal_size_max            0.25
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.15
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0525
_diffrn_reflns_av_unetI/netI       0.0326
_diffrn_reflns_Laue_measured_fraction_full  0.995
_diffrn_reflns_Laue_measured_fraction_max  0.996
_diffrn_reflns_limit_h_max         16
_diffrn_reflns_limit_h_min         -16
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              36041
_diffrn_reflns_point_group_measured_fraction_full  0.995
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.368
_diffrn_reflns_theta_min           2.352
_diffrn_ambient_temperature        294
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   15.9631
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.995
_diffrn_measured_fraction_theta_max  0.996
_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  25.00   1.00   30.00    --  -17.15 -99.00 -30.00   45
  2  ω    -20.00  25.00   1.00   30.00    --  -17.15 -99.00-150.00   45
  3  ω    -61.00  56.00   1.00   30.00    --  -17.15  19.00  90.00  117
  4  ω     34.00  95.00   1.00   30.00    --   18.79-178.00-120.00   61
  5  ω     -7.00  91.00   1.00   30.00    --   18.79  38.00 -60.00   98
  6  ω    -20.00  61.00   1.00   30.00    --   18.79 -99.00 -60.00   81
  7  ω    -50.00  39.00   1.00   30.00    --   18.79 -57.00-150.00   89
  8  ω     -3.00  88.00   1.00   30.00    --   18.79  57.00 120.00   91
  9  ω    -86.00 -53.00   1.00   30.00    --  -17.15 -57.00 120.00   33
 10  ω    -20.00  61.00   1.00   30.00    --   18.79 -99.00  90.00   81
 11  ω     -3.00  88.00   1.00   30.00    --   18.79  57.00   0.00   91
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0456493000
_diffrn_orient_matrix_UB_12        0.0007594000
_diffrn_orient_matrix_UB_13        -0.0254713000
_diffrn_orient_matrix_UB_21        -0.0082528000
_diffrn_orient_matrix_UB_22        -0.0673781000
_diffrn_orient_matrix_UB_23        0.0092869000
_diffrn_orient_matrix_UB_31        -0.0259786000
_diffrn_orient_matrix_UB_32        0.0200947000
_diffrn_orient_matrix_UB_33        0.0321296000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2867
_reflns_number_total               4653
_reflns_odcompleteness_completeness  99.90
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_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 OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.46 (Rigaku OD, 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      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.332
_refine_diff_density_min           -0.207
_refine_diff_density_rms           0.038
_refine_ls_extinction_coef         0.0037(11)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2016/4 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref     1.052
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       277
_refine_ls_number_reflns           4653
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1043
_refine_ls_R_factor_gt             0.0677
_refine_ls_restrained_S_all        1.052
_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)+(0.0826P)²+0.5545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1724
_refine_ls_wR_factor_ref           0.1975
_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 Ternary CH refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C10(H10), C16(H16)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C15(H15), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), N26(H26)
2.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C17(H17A,H17B,H17C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C)
;
_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
 N1 N 0.44724(14) 0.42135(18) 0.71215(12) 0.0606(5) Uani 1 1 d . . . . .
 C2 C 0.5032(2) 0.3390(3) 0.76572(18) 0.0721(7) Uani 1 1 d . . . . .
 C3 C 0.4744(2) 0.2023(2) 0.74294(19) 0.0810(8) Uani 1 1 d . . . . .
 H3 H 0.504745 0.126741 0.765999 0.097 Uiso 1 1 calc R . . . .
 C4 C 0.3995(2) 0.2016(2) 0.68525(18) 0.0727(7) Uani 1 1 d . . . . .
 C5 C 0.37346(18) 0.3425(2) 0.66125(15) 0.0618(6) Uani 1 1 d . . . . .
 C6 C 0.3866(2) 0.3721(2) 0.57337(16) 0.0686(7) Uani 1 1 d . . . . .
 C7 C 0.3120(2) 0.4735(3) 0.53845(16) 0.0705(7) Uani 1 1 d . . . . .
 H7 H 0.324417 0.498079 0.484577 0.085 Uiso 1 1 calc R . . . .
 C8 C 0.32273(18) 0.5964(2) 0.59554(15) 0.0616(6) Uani 1 1 d . . . . .
 H8 H 0.392849 0.625039 0.598930 0.074 Uiso 1 1 calc R . . . .
 C9 C 0.30388(17) 0.5507(2) 0.67964(14) 0.0599(6) Uani 1 1 d . . . . .
 H9 H 0.253360 0.606334 0.700903 0.072 Uiso 1 1 calc R . . . .
 C10 C 0.40081(17) 0.5456(2) 0.73649(15) 0.0607(6) Uani 1 1 d . . . . .
 H10 H 0.382867 0.533627 0.790402 0.073 Uiso 1 1 calc R . . . .
 O11 O 0.56221(16) 0.37873(19) 0.81986(14) 0.0913(6) Uani 1 1 d . . . . .
 C12 C 0.3483(3) 0.0875(3) 0.6429(2) 0.0977(10) Uani 1 1 d . . . . .
 H12A H 0.276964 0.099292 0.639970 0.147 Uiso 1 1 calc GR . . . .
 H12B H 0.366957 0.007151 0.670999 0.147 Uiso 1 1 calc GR . . . .
 H12C H 0.367712 0.082339 0.590266 0.147 Uiso 1 1 calc GR . . . .
 O13 O 0.45055(17) 0.3221(2) 0.53958(13) 0.0965(7) Uani 1 1 d . . . . .
 C14 C 0.2099(2) 0.4113(3) 0.53911(18) 0.0795(8) Uani 1 1 d . . . . .
 C15 C 0.1914(2) 0.3749(3) 0.61079(19) 0.0781(8) Uani 1 1 d . . . . .
 H15 H 0.131277 0.334646 0.619534 0.094 Uiso 1 1 calc R . . . .
 C16 C 0.27190(18) 0.4019(2) 0.67710(16) 0.0652(6) Uani 1 1 d . . . . .
 H16 H 0.252330 0.372403 0.728166 0.078 Uiso 1 1 calc R . . . .
 C17 C 0.1397(3) 0.3964(4) 0.4647(2) 0.1203(13) Uani 1 1 d . . . . .
 H17A H 0.126945 0.481812 0.440723 0.180 Uiso 1 1 calc GR . . . .
 H17B H 0.077776 0.358491 0.477095 0.180 Uiso 1 1 calc GR . . . .
 H17C H 0.169351 0.339442 0.428510 0.180 Uiso 1 1 calc GR . . . .
 C18 C 0.2598(2) 0.7107(2) 0.56087(15) 0.0653(7) Uani 1 1 d . . . . .
 C19 C 0.3014(2) 0.7984(3) 0.51121(17) 0.0809(8) Uani 1 1 d . . . . .
 H19 H 0.367584 0.787577 0.501220 0.097 Uiso 1 1 calc R . . . .
 C20 C 0.2451(3) 0.9023(3) 0.4762(2) 0.1007(11) Uani 1 1 d . . . . .
 H20 H 0.274042 0.960841 0.443087 0.121 Uiso 1 1 calc R . . . .
 C21 C 0.1476(3) 0.9197(3) 0.4898(2) 0.1106(12) Uani 1 1 d . . . . .
 H21 H 0.109988 0.988878 0.465629 0.133 Uiso 1 1 calc R . . . .
 C22 C 0.1061(3) 0.8349(4) 0.5390(2) 0.1080(11) Uani 1 1 d . . . . .
 H22 H 0.040068 0.847058 0.549225 0.130 Uiso 1 1 calc R . . . .
 C23 C 0.1614(2) 0.7306(3) 0.57400(18) 0.0874(9) Uani 1 1 d . . . . .
 H23 H 0.131656 0.672789 0.607030 0.105 Uiso 1 1 calc R . . . .
 C24 C 0.46355(19) 0.6698(2) 0.73520(14) 0.0615(6) Uani 1 1 d . . . . .
 O25 O 0.42221(15) 0.77793(17) 0.73651(14) 0.0976(7) Uani 1 1 d . . . . .
 N26 N 0.56033(16) 0.65376(19) 0.73357(15) 0.0778(7) Uani 1 1 d . . . . .
 H26 H 0.581445 0.573451 0.731934 0.093 Uiso 1 1 calc R . . . .
 C27 C 0.6361(2) 0.7581(3) 0.7342(2) 0.0951(10) Uani 1 1 d . . . . .
 C28 C 0.6143(4) 0.8427(4) 0.6611(2) 0.1363(16) Uani 1 1 d . . . . .
 H28A H 0.611828 0.787763 0.614744 0.204 Uiso 1 1 calc GR . . . .
 H28B H 0.666171 0.907843 0.659720 0.204 Uiso 1 1 calc GR . . . .
 H28C H 0.550906 0.886385 0.662213 0.204 Uiso 1 1 calc GR . . . .
 C29 C 0.6341(3) 0.8445(3) 0.8080(2) 0.1191(13) Uani 1 1 d . . . . .
 H29A H 0.571277 0.890602 0.805268 0.179 Uiso 1 1 calc GR . . . .
 H29B H 0.687918 0.907650 0.810531 0.179 Uiso 1 1 calc GR . . . .
 H29C H 0.642011 0.789617 0.854430 0.179 Uiso 1 1 calc GR . . . .
 C30 C 0.7360(3) 0.6868(4) 0.7381(4) 0.197(3) Uani 1 1 d . . . . .
 H30A H 0.744825 0.651969 0.686701 0.296 Uiso 1 1 calc GR . . . .
 H30B H 0.737328 0.615524 0.775598 0.296 Uiso 1 1 calc GR . . . .
 H30C H 0.789235 0.747933 0.754352 0.296 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 C2 1.388(3) . ?
 N1 C5 1.472(3) . ?
 N1 C10 1.480(3) . ?
 C2 C3 1.472(4) . ?
 C2 O11 1.212(3) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.322(4) . ?
 C4 C5 1.509(3) . ?
 C4 C12 1.484(4) . ?
 C5 C6 1.551(4) . ?
 C5 C16 1.540(3) . ?
 C6 C7 1.507(4) . ?
 C6 O13 1.196(3) . ?
 C7 H7 0.9800 . ?
 C7 C8 1.571(3) . ?
 C7 C14 1.508(4) . ?
 C8 H8 0.9800 . ?
 C8 C9 1.548(3) . ?
 C8 C18 1.510(3) . ?
 C9 H9 0.9800 . ?
 C9 C10 1.531(3) . ?
 C9 C16 1.562(3) . ?
 C10 H10 0.9800 . ?
 C10 C24 1.511(3) . ?
 C12 H12A 0.9600 . ?
 C12 H12B 0.9600 . ?
 C12 H12C 0.9600 . ?
 C14 C15 1.321(4) . ?
 C14 C17 1.496(4) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.495(4) . ?
 C16 H16 0.9800 . ?
 C17 H17A 0.9600 . ?
 C17 H17B 0.9600 . ?
 C17 H17C 0.9600 . ?
 C18 C19 1.383(4) . ?
 C18 C23 1.378(4) . ?
 C19 H19 0.9300 . ?
 C19 C20 1.386(4) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.366(5) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.358(5) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.383(4) . ?
 C23 H23 0.9300 . ?
 C24 O25 1.226(3) . ?
 C24 N26 1.313(3) . ?
 N26 H26 0.8600 . ?
 N26 C27 1.463(3) . ?
 C27 C28 1.508(5) . ?
 C27 C29 1.528(5) . ?
 C27 C30 1.518(5) . ?
 C28 H28A 0.9600 . ?
 C28 H28B 0.9600 . ?
 C28 H28C 0.9600 . ?
 C29 H29A 0.9600 . ?
 C29 H29B 0.9600 . ?
 C29 H29C 0.9600 . ?
 C30 H30A 0.9600 . ?
 C30 H30B 0.9600 . ?
 C30 H30C 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
 C2 N1 C5 109.83(19) . . ?
 C2 N1 C10 122.6(2) . . ?
 C5 N1 C10 110.19(17) . . ?
 N1 C2 C3 106.4(2) . . ?
 O11 C2 N1 123.9(2) . . ?
 O11 C2 C3 129.7(3) . . ?
 C2 C3 H3 124.6 . . ?
 C4 C3 C2 110.8(2) . . ?
 C4 C3 H3 124.6 . . ?
 C3 C4 C5 109.2(2) . . ?
 C3 C4 C12 129.4(2) . . ?
 C12 C4 C5 121.3(3) . . ?
 N1 C5 C4 103.3(2) . . ?
 N1 C5 C6 108.57(19) . . ?
 N1 C5 C16 103.74(18) . . ?
 C4 C5 C6 113.1(2) . . ?
 C4 C5 C16 120.1(2) . . ?
 C16 C5 C6 107.0(2) . . ?
 C7 C6 C5 111.5(2) . . ?
 O13 C6 C5 123.1(2) . . ?
 O13 C6 C7 125.4(3) . . ?
 C6 C7 H7 111.3 . . ?
 C6 C7 C8 106.4(2) . . ?
 C6 C7 C14 106.2(2) . . ?
 C8 C7 H7 111.3 . . ?
 C14 C7 H7 111.3 . . ?
 C14 C7 C8 110.2(2) . . ?
 C7 C8 H8 106.8 . . ?
 C9 C8 C7 108.71(19) . . ?
 C9 C8 H8 106.8 . . ?
 C18 C8 C7 110.7(2) . . ?
 C18 C8 H8 106.8 . . ?
 C18 C8 C9 116.4(2) . . ?
 C8 C9 H9 111.2 . . ?
 C8 C9 C16 109.52(19) . . ?
 C10 C9 C8 112.07(19) . . ?
 C10 C9 H9 111.2 . . ?
 C10 C9 C16 101.32(18) . . ?
 C16 C9 H9 111.2 . . ?
 N1 C10 C9 101.97(18) . . ?
 N1 C10 H10 108.2 . . ?
 N1 C10 C24 116.46(19) . . ?
 C9 C10 H10 108.2 . . ?
 C24 C10 C9 113.47(19) . . ?
 C24 C10 H10 108.2 . . ?
 C4 C12 H12A 109.5 . . ?
 C4 C12 H12B 109.5 . . ?
 C4 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C15 C14 C7 112.9(3) . . ?
 C15 C14 C17 125.7(3) . . ?
 C17 C14 C7 121.4(3) . . ?
 C14 C15 H15 121.7 . . ?
 C14 C15 C16 116.6(2) . . ?
 C16 C15 H15 121.7 . . ?
 C5 C16 C9 97.63(18) . . ?
 C5 C16 H16 111.6 . . ?
 C9 C16 H16 111.6 . . ?
 C15 C16 C5 112.1(2) . . ?
 C15 C16 C9 111.6(2) . . ?
 C15 C16 H16 111.6 . . ?
 C14 C17 H17A 109.5 . . ?
 C14 C17 H17B 109.5 . . ?
 C14 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 C19 C18 C8 118.7(2) . . ?
 C23 C18 C8 123.6(2) . . ?
 C23 C18 C19 117.7(3) . . ?
 C18 C19 H19 119.8 . . ?
 C18 C19 C20 120.5(3) . . ?
 C20 C19 H19 119.8 . . ?
 C19 C20 H20 119.7 . . ?
 C21 C20 C19 120.7(3) . . ?
 C21 C20 H20 119.7 . . ?
 C20 C21 H21 120.3 . . ?
 C22 C21 C20 119.4(3) . . ?
 C22 C21 H21 120.3 . . ?
 C21 C22 H22 119.8 . . ?
 C21 C22 C23 120.4(3) . . ?
 C23 C22 H22 119.8 . . ?
 C18 C23 C22 121.3(3) . . ?
 C18 C23 H23 119.4 . . ?
 C22 C23 H23 119.4 . . ?
 O25 C24 C10 118.9(2) . . ?
 O25 C24 N26 124.1(2) . . ?
 N26 C24 C10 116.9(2) . . ?
 C24 N26 H26 116.6 . . ?
 C24 N26 C27 126.9(2) . . ?
 C27 N26 H26 116.6 . . ?
 N26 C27 C28 109.3(3) . . ?
 N26 C27 C29 109.9(3) . . ?
 N26 C27 C30 105.6(3) . . ?
 C28 C27 C29 109.4(3) . . ?
 C28 C27 C30 113.1(4) . . ?
 C30 C27 C29 109.4(4) . . ?
 C27 C28 H28A 109.5 . . ?
 C27 C28 H28B 109.5 . . ?
 C27 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?
 C27 C29 H29A 109.5 . . ?
 C27 C29 H29B 109.5 . . ?
 C27 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C27 C30 H30A 109.5 . . ?
 C27 C30 H30B 109.5 . . ?
 C27 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 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 C2 C3 C4 -6.0(3) . . . . ?
 N1 C5 C6 C7 -97.9(2) . . . . ?
 N1 C5 C6 O13 80.2(3) . . . . ?
 N1 C5 C16 C9 40.5(2) . . . . ?
 N1 C5 C16 C15 157.6(2) . . . . ?
 N1 C10 C24 O25 163.2(2) . . . . ?
 N1 C10 C24 N26 -17.5(3) . . . . ?
 C2 N1 C5 C4 -5.7(3) . . . . ?
 C2 N1 C5 C6 -126.1(2) . . . . ?
 C2 N1 C5 C16 120.3(2) . . . . ?
 C2 N1 C10 C9 -145.5(2) . . . . ?
 C2 N1 C10 C24 90.4(3) . . . . ?
 C2 C3 C4 C5 2.4(3) . . . . ?
 C2 C3 C4 C12 178.4(3) . . . . ?
 C3 C4 C5 N1 1.9(3) . . . . ?
 C3 C4 C5 C6 119.1(3) . . . . ?
 C3 C4 C5 C16 -112.9(3) . . . . ?
 C4 C5 C6 C7 148.0(2) . . . . ?
 C4 C5 C6 O13 -33.9(3) . . . . ?
 C4 C5 C16 C9 155.1(2) . . . . ?
 C4 C5 C16 C15 -87.8(3) . . . . ?
 C5 N1 C2 C3 7.1(3) . . . . ?
 C5 N1 C2 O11 -172.2(3) . . . . ?
 C5 N1 C10 C9 -14.0(2) . . . . ?
 C5 N1 C10 C24 -138.0(2) . . . . ?
 C5 C6 C7 C8 53.4(3) . . . . ?
 C5 C6 C7 C14 -64.0(3) . . . . ?
 C6 C5 C16 C9 -74.2(2) . . . . ?
 C6 C5 C16 C15 43.0(3) . . . . ?
 C6 C7 C8 C9 -57.7(3) . . . . ?
 C6 C7 C8 C18 173.2(2) . . . . ?
 C6 C7 C14 C15 57.7(3) . . . . ?
 C6 C7 C14 C17 -123.0(3) . . . . ?
 C7 C8 C9 C10 106.8(2) . . . . ?
 C7 C8 C9 C16 -4.8(3) . . . . ?
 C7 C8 C18 C19 -88.2(3) . . . . ?
 C7 C8 C18 C23 89.7(3) . . . . ?
 C7 C14 C15 C16 0.5(4) . . . . ?
 C8 C7 C14 C15 -57.2(3) . . . . ?
 C8 C7 C14 C17 122.1(3) . . . . ?
 C8 C9 C10 N1 -77.2(2) . . . . ?
 C8 C9 C10 C24 48.9(3) . . . . ?
 C8 C9 C16 C5 69.3(2) . . . . ?
 C8 C9 C16 C15 -48.2(3) . . . . ?
 C8 C18 C19 C20 178.0(3) . . . . ?
 C8 C18 C23 C22 -178.2(3) . . . . ?
 C9 C8 C18 C19 147.0(2) . . . . ?
 C9 C8 C18 C23 -35.1(4) . . . . ?
 C9 C10 C24 O25 45.2(3) . . . . ?
 C9 C10 C24 N26 -135.5(2) . . . . ?
 C10 N1 C2 C3 138.9(2) . . . . ?
 C10 N1 C2 O11 -40.5(4) . . . . ?
 C10 N1 C5 C4 -143.6(2) . . . . ?
 C10 N1 C5 C6 96.0(2) . . . . ?
 C10 N1 C5 C16 -17.6(2) . . . . ?
 C10 C9 C16 C5 -49.2(2) . . . . ?
 C10 C9 C16 C15 -166.7(2) . . . . ?
 C10 C24 N26 C27 -178.2(3) . . . . ?
 O11 C2 C3 C4 173.3(3) . . . . ?
 C12 C4 C5 N1 -174.5(2) . . . . ?
 C12 C4 C5 C6 -57.3(3) . . . . ?
 C12 C4 C5 C16 70.6(4) . . . . ?
 O13 C6 C7 C8 -124.6(3) . . . . ?
 O13 C6 C7 C14 118.0(3) . . . . ?
 C14 C7 C8 C9 57.0(3) . . . . ?
 C14 C7 C8 C18 -72.1(3) . . . . ?
 C14 C15 C16 C5 -54.2(3) . . . . ?
 C14 C15 C16 C9 54.2(3) . . . . ?
 C16 C5 C6 C7 13.5(3) . . . . ?
 C16 C5 C6 O13 -168.4(2) . . . . ?
 C16 C9 C10 N1 39.5(2) . . . . ?
 C16 C9 C10 C24 165.53(19) . . . . ?
 C17 C14 C15 C16 -178.8(3) . . . . ?
 C18 C8 C9 C10 -127.3(2) . . . . ?
 C18 C8 C9 C16 121.1(2) . . . . ?
 C18 C19 C20 C21 -0.3(5) . . . . ?
 C19 C18 C23 C22 -0.2(5) . . . . ?
 C19 C20 C21 C22 0.8(6) . . . . ?
 C20 C21 C22 C23 -1.1(6) . . . . ?
 C21 C22 C23 C18 0.8(6) . . . . ?
 C23 C18 C19 C20 0.0(4) . . . . ?
 C24 N26 C27 C28 -62.3(4) . . . . ?
 C24 N26 C27 C29 57.8(4) . . . . ?
 C24 N26 C27 C30 175.7(4) . . . . ?
 O25 C24 N26 C27 1.0(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  1.291
_oxdiff_exptl_absorpt_empirical_full_min  0.740
