data_171109_lb473175_b
_audit_creation_date              2017-11-09
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number      '2016/6'
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_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          'C26 H22 N2 O5 S'
_chemical_formula_sum             'C26 H22 N2 O5 S'
_chemical_formula_weight          474.51
_chemical_melting_point           ?
_chemical_oxdiff_formula          'C H N O s'
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'
 'S' 'S' 0.1246 0.1234 '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                    15.3464(15)
_cell_length_b                    10.3631(11)
_cell_length_c                    14.3374(15)
_cell_angle_alpha                 90
_cell_angle_beta                  99.042(10)
_cell_angle_gamma                 90
_cell_volume                      2251.8(4)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     2543
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       29.3532
_cell_measurement_theta_min       3.2358
_shelx_estimated_absorpt_T_max    0.929
_shelx_estimated_absorpt_T_min    0.914
_exptl_absorpt_coefficient_mu     0.186
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.97062
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             yellow
_exptl_crystal_colour_primary     yellow
_exptl_crystal_density_diffrn     1.400
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              992
_exptl_crystal_size_max           0.49
_exptl_crystal_size_mid           0.46
_exptl_crystal_size_min           0.4
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0339
_diffrn_reflns_av_unetI/netI      0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max        18
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_k_min        -12
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_number             9075
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          25.347
_diffrn_reflns_theta_min          3.330
_diffrn_ambient_temperature       293.15
_diffrn_detector_area_resol_mean  10.3592
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -10.00   69.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       11.9371   73.0000 -176.0000 79

#__ type_ start__ end____ width___ exp.time_
  2 omega  -50.00    8.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -11.6246  109.0000   28.0000 58

#__ type_ start__ end____ width___ exp.time_
  3 omega    5.00   58.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       11.9371 -109.0000  -28.0000 53
;
_diffrn_measurement_device_type   'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_UB_11       0.0429346000
_diffrn_orient_matrix_UB_12       -0.0270364000
_diffrn_orient_matrix_UB_13       0.0054742000
_diffrn_orient_matrix_UB_21       -0.0155257000
_diffrn_orient_matrix_UB_22       -0.0486399000
_diffrn_orient_matrix_UB_23       -0.0332751000
_diffrn_orient_matrix_UB_31       0.0102326000
_diffrn_orient_matrix_UB_32       0.0397911000
_diffrn_orient_matrix_UB_33       -0.0371102000
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 3029
_reflns_number_total              4118
_reflns_odcompleteness_completeness 99.57
_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, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_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          -0.406
_refine_diff_density_rms          0.056
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.034
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      310
_refine_ls_number_reflns          4118
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0721
_refine_ls_R_factor_gt            0.0498
_refine_ls_restrained_S_all       1.034
_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)+(0.0708P)²+0.3395P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1214
_refine_ls_wR_factor_ref          0.1387
_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 Riding coordinates:
 N2(H2)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2A), C3(H3), C4(H4), C10(H10), C14(H14), C16(H16), C17(H17),
 C20(H20), C21(H21), C23(H23), C24(H24)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_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
 S1 S 0.16123(4) 0.01983(6) 0.39113(4) 0.0411(2) Uani 1 1 d . . . . .
 O1 O 0.33886(9) 0.27971(17) 0.73035(10) 0.0441(4) Uani 1 1 d . . . . .
 O2 O 0.37323(9) 0.21526(19) 0.45774(11) 0.0499(5) Uani 1 1 d . . . . .
 O3 O 0.61009(11) 0.0733(2) 0.84753(12) 0.0613(5) Uani 1 1 d . . . . .
 O4 O 0.06787(10) 0.03067(17) 0.37770(13) 0.0538(5) Uani 1 1 d . . . . .
 O5 O 0.20335(13) -0.06568(18) 0.33441(13) 0.0623(5) Uani 1 1 d . . . . .
 N1 N 0.10221(11) 0.34631(18) 0.36466(13) 0.0375(5) Uani 1 1 d . . . . .
 N2 N 0.19999(11) 0.16308(18) 0.37039(12) 0.0376(5) Uani 1 1 d . . . . .
 H2 H 0.256687 0.160832 0.378267 0.045 Uiso 1 1 d R . . . .
 C1 C 0.16842(15) 0.5641(2) 0.55542(18) 0.0452(6) Uani 1 1 d . . . . .
 H1 H 0.211247 0.566200 0.609058 0.054 Uiso 1 1 calc R . . . .
 C2 C 0.11114(17) 0.6660(3) 0.5342(2) 0.0550(7) Uani 1 1 d . . . . .
 H2A H 0.115717 0.737536 0.573806 0.066 Uiso 1 1 calc R . . . .
 C3 C 0.04597(18) 0.6634(3) 0.4538(2) 0.0586(7) Uani 1 1 d . . . . .
 H3 H 0.008315 0.733740 0.441058 0.070 Uiso 1 1 calc R . . . .
 C4 C 0.03645(16) 0.5605(2) 0.39385(19) 0.0506(7) Uani 1 1 d . . . . .
 H4 H -0.007488 0.558731 0.341192 0.061 Uiso 1 1 calc R . . . .
 C5 C 0.09526(14) 0.4580(2) 0.41464(16) 0.0383(5) Uani 1 1 d . . . . .
 C6 C 0.16109(13) 0.4577(2) 0.49497(15) 0.0351(5) Uani 1 1 d . . . . .
 C7 C 0.20916(13) 0.3388(2) 0.49287(14) 0.0329(5) Uani 1 1 d . . . . .
 C8 C 0.17166(13) 0.2762(2) 0.41249(15) 0.0344(5) Uani 1 1 d . . . . .
 C9 C 0.28270(13) 0.2945(2) 0.56470(15) 0.0334(5) Uani 1 1 d . . . . .
 C10 C 0.27671(14) 0.3125(2) 0.65647(15) 0.0399(6) Uani 1 1 d . . . . .
 H10 H 0.225439 0.350870 0.670250 0.048 Uiso 1 1 calc R . . . .
 C11 C 0.41348(13) 0.2194(2) 0.71227(15) 0.0350(5) Uani 1 1 d . . . . .
 C12 C 0.42730(13) 0.1967(2) 0.62059(15) 0.0345(5) Uani 1 1 d . . . . .
 C13 C 0.36176(13) 0.2348(2) 0.54026(15) 0.0356(5) Uani 1 1 d . . . . .
 C14 C 0.47270(14) 0.1813(2) 0.79145(16) 0.0408(6) Uani 1 1 d . . . . .
 H14 H 0.461810 0.199199 0.852135 0.049 Uiso 1 1 calc R . . . .
 C15 C 0.54743(14) 0.1168(3) 0.77711(16) 0.0438(6) Uani 1 1 d . . . . .
 C16 C 0.56396(16) 0.0919(3) 0.68524(18) 0.0524(7) Uani 1 1 d . . . . .
 H16 H 0.615053 0.048558 0.676236 0.063 Uiso 1 1 calc R . . . .
 C17 C 0.50503(14) 0.1313(3) 0.60901(17) 0.0447(6) Uani 1 1 d . . . . .
 H17 H 0.516598 0.114422 0.548427 0.054 Uiso 1 1 calc R . . . .
 C18 C 0.59629(18) 0.0915(3) 0.94237(18) 0.0653(8) Uani 1 1 d . . . . .
 H18A H 0.543360 0.047605 0.952118 0.098 Uiso 1 1 calc GR . . . .
 H18B H 0.590625 0.181938 0.954446 0.098 Uiso 1 1 calc GR . . . .
 H18C H 0.645576 0.057085 0.984605 0.098 Uiso 1 1 calc GR . . . .
 C19 C 0.19857(14) -0.0160(2) 0.51070(17) 0.0379(5) Uani 1 1 d . . . . .
 C20 C 0.28232(16) -0.0646(3) 0.53725(19) 0.0513(6) Uani 1 1 d . . . . .
 H20 H 0.318338 -0.080741 0.492107 0.062 Uiso 1 1 calc R . . . .
 C21 C 0.31248(18) -0.0892(3) 0.6319(2) 0.0597(8) Uani 1 1 d . . . . .
 H21 H 0.369309 -0.121067 0.649731 0.072 Uiso 1 1 calc R . . . .
 C22 C 0.2603(2) -0.0677(3) 0.69982(19) 0.0572(7) Uani 1 1 d . . . . .
 C23 C 0.1759(2) -0.0215(3) 0.6709(2) 0.0581(7) Uani 1 1 d . . . . .
 H23 H 0.139048 -0.008561 0.715680 0.070 Uiso 1 1 calc R . . . .
 C24 C 0.14493(17) 0.0058(2) 0.57788(19) 0.0470(6) Uani 1 1 d . . . . .
 H24 H 0.088344 0.038702 0.560308 0.056 Uiso 1 1 calc R . . . .
 C25 C 0.2937(3) -0.0954(4) 0.8035(2) 0.0897(11) Uani 1 1 d . . . . .
 H25A H 0.285694 -0.020259 0.840439 0.135 Uiso 1 1 calc GR . . . .
 H25B H 0.355240 -0.117005 0.811380 0.135 Uiso 1 1 calc GR . . . .
 H25C H 0.261236 -0.166267 0.824092 0.135 Uiso 1 1 calc GR . . . .
 C26 C 0.04246(16) 0.3053(3) 0.28075(17) 0.0495(6) Uani 1 1 d . . . . .
 H26A H 0.074995 0.259035 0.239531 0.074 Uiso 1 1 calc GR . . . .
 H26B H 0.015291 0.379739 0.248481 0.074 Uiso 1 1 calc GR . . . .
 H26C H -0.002285 0.250264 0.298931 0.074 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
 S1 O4 1.4198(17) . ?
 S1 O5 1.4247(18) . ?
 S1 N2 1.6437(19) . ?
 S1 C19 1.760(2) . ?
 O1 C10 1.353(2) . ?
 O1 C11 1.365(2) . ?
 O2 C13 1.240(2) . ?
 O3 C15 1.357(3) . ?
 O3 C18 1.421(3) . ?
 N1 C5 1.374(3) . ?
 N1 C8 1.380(3) . ?
 N1 C26 1.457(3) . ?
 N2 H2 0.8600 . ?
 N2 C8 1.418(3) . ?
 C1 H1 0.9300 . ?
 C1 C2 1.376(4) . ?
 C1 C6 1.396(3) . ?
 C2 H2A 0.9300 . ?
 C2 C3 1.403(4) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.363(4) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.396(3) . ?
 C5 C6 1.408(3) . ?
 C6 C7 1.439(3) . ?
 C7 C8 1.368(3) . ?
 C7 C9 1.476(3) . ?
 C9 C10 1.346(3) . ?
 C9 C13 1.453(3) . ?
 C10 H10 0.9300 . ?
 C11 C12 1.384(3) . ?
 C11 C14 1.395(3) . ?
 C12 C13 1.459(3) . ?
 C12 C17 1.405(3) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.371(3) . ?
 C15 C16 1.404(3) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.367(3) . ?
 C17 H17 0.9300 . ?
 C18 H18A 0.9600 . ?
 C18 H18B 0.9600 . ?
 C18 H18C 0.9600 . ?
 C19 C20 1.377(3) . ?
 C19 C24 1.380(3) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.387(4) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.373(4) . ?
 C22 C23 1.381(4) . ?
 C22 C25 1.522(4) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.373(4) . ?
 C24 H24 0.9300 . ?
 C25 H25A 0.9600 . ?
 C25 H25B 0.9600 . ?
 C25 H25C 0.9600 . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 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
 O4 S1 O5 120.70(11) . . ?
 O4 S1 N2 106.87(10) . . ?
 O4 S1 C19 108.42(11) . . ?
 O5 S1 N2 104.41(11) . . ?
 O5 S1 C19 108.51(11) . . ?
 N2 S1 C19 107.15(10) . . ?
 C10 O1 C11 118.41(17) . . ?
 C15 O3 C18 118.24(19) . . ?
 C5 N1 C8 107.56(17) . . ?
 C5 N1 C26 125.85(18) . . ?
 C8 N1 C26 126.4(2) . . ?
 S1 N2 H2 109.8 . . ?
 C8 N2 S1 121.73(14) . . ?
 C8 N2 H2 109.8 . . ?
 C2 C1 H1 120.6 . . ?
 C2 C1 C6 118.8(2) . . ?
 C6 C1 H1 120.6 . . ?
 C1 C2 H2A 119.5 . . ?
 C1 C2 C3 121.0(3) . . ?
 C3 C2 H2A 119.5 . . ?
 C2 C3 H3 119.2 . . ?
 C4 C3 C2 121.7(3) . . ?
 C4 C3 H3 119.2 . . ?
 C3 C4 H4 121.3 . . ?
 C3 C4 C5 117.3(2) . . ?
 C5 C4 H4 121.3 . . ?
 N1 C5 C4 129.1(2) . . ?
 N1 C5 C6 108.69(19) . . ?
 C4 C5 C6 122.2(2) . . ?
 C1 C6 C5 118.9(2) . . ?
 C1 C6 C7 134.3(2) . . ?
 C5 C6 C7 106.79(19) . . ?
 C6 C7 C9 126.13(19) . . ?
 C8 C7 C6 105.93(18) . . ?
 C8 C7 C9 127.9(2) . . ?
 N1 C8 N2 119.24(18) . . ?
 C7 C8 N1 111.0(2) . . ?
 C7 C8 N2 129.36(19) . . ?
 C10 C9 C7 118.46(19) . . ?
 C10 C9 C13 118.85(19) . . ?
 C13 C9 C7 122.68(18) . . ?
 O1 C10 H10 117.2 . . ?
 C9 C10 O1 125.6(2) . . ?
 C9 C10 H10 117.2 . . ?
 O1 C11 C12 121.11(19) . . ?
 O1 C11 C14 115.70(19) . . ?
 C12 C11 C14 123.2(2) . . ?
 C11 C12 C13 120.93(19) . . ?
 C11 C12 C17 117.0(2) . . ?
 C17 C12 C13 122.0(2) . . ?
 O2 C13 C9 123.28(19) . . ?
 O2 C13 C12 121.68(19) . . ?
 C9 C13 C12 115.02(18) . . ?
 C11 C14 H14 121.0 . . ?
 C15 C14 C11 118.0(2) . . ?
 C15 C14 H14 121.0 . . ?
 O3 C15 C14 124.2(2) . . ?
 O3 C15 C16 115.2(2) . . ?
 C14 C15 C16 120.6(2) . . ?
 C15 C16 H16 120.0 . . ?
 C17 C16 C15 120.1(2) . . ?
 C17 C16 H16 120.0 . . ?
 C12 C17 H17 119.4 . . ?
 C16 C17 C12 121.1(2) . . ?
 C16 C17 H17 119.4 . . ?
 O3 C18 H18A 109.5 . . ?
 O3 C18 H18B 109.5 . . ?
 O3 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 C20 C19 S1 119.56(18) . . ?
 C20 C19 C24 120.0(2) . . ?
 C24 C19 S1 120.45(18) . . ?
 C19 C20 H20 120.3 . . ?
 C19 C20 C21 119.4(2) . . ?
 C21 C20 H20 120.3 . . ?
 C20 C21 H21 119.3 . . ?
 C22 C21 C20 121.5(3) . . ?
 C22 C21 H21 119.3 . . ?
 C21 C22 C23 117.8(3) . . ?
 C21 C22 C25 121.2(3) . . ?
 C23 C22 C25 121.0(3) . . ?
 C22 C23 H23 119.1 . . ?
 C24 C23 C22 121.9(3) . . ?
 C24 C23 H23 119.1 . . ?
 C19 C24 H24 120.3 . . ?
 C23 C24 C19 119.4(2) . . ?
 C23 C24 H24 120.3 . . ?
 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 . . ?
 N1 C26 H26A 109.5 . . ?
 N1 C26 H26B 109.5 . . ?
 N1 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
