data_22019825gz1_0m
_audit_creation_date               2019-08-08
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_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           'C29 H27 N O4 S'
_chemical_formula_sum              'C29 H27 N O4 S'
_chemical_formula_weight           485.57
_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' 0.0033 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                     12.7601(15)
_cell_length_b                     10.8088(13)
_cell_length_c                     17.5412(18)
_cell_angle_alpha                  90
_cell_angle_beta                   90.120(4)
_cell_angle_gamma                  90
_cell_volume                       2419.3(5)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      3897
_cell_measurement_temperature      173
_cell_measurement_theta_max        25.927
_cell_measurement_theta_min        2.470
_shelx_estimated_absorpt_T_max     0.981
_shelx_estimated_absorpt_T_min     0.954
_exptl_absorpt_coefficient_mu      0.171
_exptl_absorpt_correction_T_max    0.7454
_exptl_absorpt_correction_T_min    0.6390
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1049 before and 0.0637 after correction. The Ratio of minimum to maximum transmission is 0.8573. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.333
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1024
_exptl_crystal_size_max            0.28
_exptl_crystal_size_mid            0.19
_exptl_crystal_size_min            0.11
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0801
_diffrn_reflns_av_unetI/netI       0.0738
_diffrn_reflns_Laue_measured_fraction_full  0.989
_diffrn_reflns_Laue_measured_fraction_max  0.983
_diffrn_reflns_limit_h_max         15
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              18282
_diffrn_reflns_point_group_measured_fraction_full  0.989
_diffrn_reflns_point_group_measured_fraction_max  0.983
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.416
_diffrn_reflns_theta_min           2.213
_diffrn_ambient_temperature        173
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.989
_diffrn_measured_fraction_theta_max  0.983
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         ?
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3234
_reflns_number_total               4876
_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         'SAINT V8.38A (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.38A (?, 2016)'
_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           0.238
_refine_diff_density_min           -0.304
_refine_diff_density_rms           0.051
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.044
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       318
_refine_ls_number_reflns           4876
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0924
_refine_ls_R_factor_gt             0.0509
_refine_ls_restrained_S_all        1.044
_refine_ls_shift/su_max            0.003
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0389P)²+0.8108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1041
_refine_ls_wR_factor_ref           0.1251
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C13(H13), C16(H16), C18(H18),
 C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C27(H27), C28(H28)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), 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
 S1 S 0.04486(5) 0.88862(6) 0.72037(4) 0.03482(18) Uani 1 1 d . . . . .
 O1 O 0.06722(14) 1.01322(15) 0.69785(10) 0.0446(5) Uani 1 1 d . . . . .
 O2 O -0.01968(13) 0.86529(16) 0.78558(9) 0.0436(5) Uani 1 1 d . . . . .
 O3 O 0.59221(17) 0.72793(19) 0.57514(10) 0.0617(6) Uani 1 1 d . . . . .
 O4 O 0.54267(14) 0.54920(16) 0.62764(10) 0.0481(5) Uani 1 1 d . . . . .
 N1 N 0.15915(15) 0.82124(17) 0.73696(11) 0.0315(5) Uani 1 1 d . . . . .
 C1 C 0.6006(2) 0.4815(3) 0.57059(18) 0.0646(9) Uani 1 1 d . . . . .
 H1A H 0.591469 0.521433 0.520853 0.097 Uiso 1 1 calc GR . . . .
 H1B H 0.574611 0.396319 0.568044 0.097 Uiso 1 1 calc GR . . . .
 H1C H 0.675185 0.480899 0.584155 0.097 Uiso 1 1 calc GR . . . .
 C2 C 0.54700(19) 0.6725(2) 0.62407(14) 0.0338(6) Uani 1 1 d . . . . .
 C3 C 0.49007(18) 0.7280(2) 0.69111(13) 0.0282(5) Uani 1 1 d . . . . .
 C4 C 0.55443(18) 0.71129(19) 0.76346(12) 0.0264(5) Uani 1 1 d . . . . .
 C5 C 0.66197(18) 0.7311(2) 0.76155(13) 0.0323(6) Uani 1 1 d . . . . .
 H5 H 0.694831 0.750091 0.714445 0.039 Uiso 1 1 calc R . . . .
 C6 C 0.7218(2) 0.7235(2) 0.82704(14) 0.0366(6) Uani 1 1 d . . . . .
 H6 H 0.795401 0.736390 0.824879 0.044 Uiso 1 1 calc R . . . .
 C7 C 0.6739(2) 0.6969(2) 0.89593(14) 0.0387(6) Uani 1 1 d . . . . .
 H7 H 0.714698 0.692461 0.941214 0.046 Uiso 1 1 calc R . . . .
 C8 C 0.5675(2) 0.6770(2) 0.89903(14) 0.0395(6) Uani 1 1 d . . . . .
 H8 H 0.534918 0.658806 0.946378 0.047 Uiso 1 1 calc R . . . .
 C9 C 0.50743(19) 0.6835(2) 0.83256(13) 0.0330(6) Uani 1 1 d . . . . .
 H9 H 0.434092 0.668781 0.834673 0.040 Uiso 1 1 calc R . . . .
 C10 C 0.45326(18) 0.8667(2) 0.68119(14) 0.0331(6) Uani 1 1 d . . . . .
 H10A H 0.482391 0.924090 0.719796 0.040 Uiso 1 1 calc R . . . .
 H10B H 0.462451 0.899716 0.628976 0.040 Uiso 1 1 calc R . . . .
 C11 C 0.34206(18) 0.8226(2) 0.69844(12) 0.0283(5) Uani 1 1 d . . . . .
 C12 C 0.37362(17) 0.6930(2) 0.69571(12) 0.0266(5) Uani 1 1 d . . . . .
 C13 C 0.31571(18) 0.5915(2) 0.69055(12) 0.0295(5) Uani 1 1 d . . . . .
 H13 H 0.347957 0.512659 0.685752 0.035 Uiso 1 1 calc R . . . .
 C14 C 0.19857(18) 0.6028(2) 0.69238(13) 0.0312(5) Uani 1 1 d . . . . .
 H14A H 0.168132 0.519184 0.698597 0.037 Uiso 1 1 calc R . . . .
 H14B H 0.174396 0.635540 0.642646 0.037 Uiso 1 1 calc R . . . .
 C15 C 0.15553(18) 0.6875(2) 0.75665(13) 0.0308(5) Uani 1 1 d . . . . .
 H15 H 0.079453 0.666629 0.761168 0.037 Uiso 1 1 calc R . . . .
 C16 C 0.25188(18) 0.8803(2) 0.71314(13) 0.0308(5) Uani 1 1 d . . . . .
 H16 H 0.250101 0.967582 0.707089 0.037 Uiso 1 1 calc R . . . .
 C17 C 0.20259(18) 0.6612(2) 0.83444(13) 0.0298(5) Uani 1 1 d . . . . .
 C18 C 0.2330(2) 0.5411(2) 0.85313(14) 0.0398(6) Uani 1 1 d . . . . .
 H18 H 0.227804 0.477578 0.815883 0.048 Uiso 1 1 calc R . . . .
 C19 C 0.2706(2) 0.5130(3) 0.92504(15) 0.0488(7) Uani 1 1 d . . . . .
 H19 H 0.290669 0.430523 0.936817 0.059 Uiso 1 1 calc R . . . .
 C20 C 0.2790(2) 0.6040(3) 0.97973(15) 0.0474(7) Uani 1 1 d . . . . .
 H20 H 0.305738 0.585055 1.028944 0.057 Uiso 1 1 calc R . . . .
 C21 C 0.2484(2) 0.7222(3) 0.96226(15) 0.0460(7) Uani 1 1 d . . . . .
 H21 H 0.253394 0.785288 0.999778 0.055 Uiso 1 1 calc R . . . .
 C22 C 0.2102(2) 0.7503(2) 0.89055(14) 0.0386(6) Uani 1 1 d . . . . .
 H22 H 0.188802 0.832592 0.879641 0.046 Uiso 1 1 calc R . . . .
 C23 C -0.01109(18) 0.8084(2) 0.64340(13) 0.0308(5) Uani 1 1 d . . . . .
 C24 C 0.0141(2) 0.8392(2) 0.56905(14) 0.0405(6) Uani 1 1 d . . . . .
 H24 H 0.057758 0.908321 0.558481 0.049 Uiso 1 1 calc R . . . .
 C25 C -0.0256(2) 0.7670(3) 0.51024(14) 0.0442(7) Uani 1 1 d . . . . .
 H25 H -0.009593 0.788105 0.459003 0.053 Uiso 1 1 calc R . . . .
 C26 C -0.0881(2) 0.6646(2) 0.52459(14) 0.0372(6) Uani 1 1 d . . . . .
 C27 C -0.1138(2) 0.6382(2) 0.59932(14) 0.0403(6) Uani 1 1 d . . . . .
 H27 H -0.158559 0.570120 0.609900 0.048 Uiso 1 1 calc R . . . .
 C28 C -0.07594(19) 0.7087(2) 0.65892(13) 0.0347(6) Uani 1 1 d . . . . .
 H28 H -0.094082 0.689056 0.710006 0.042 Uiso 1 1 calc R . . . .
 C29 C -0.1256(2) 0.5815(3) 0.46127(15) 0.0527(8) Uani 1 1 d . . . . .
 H29A H -0.108787 0.495374 0.473754 0.079 Uiso 1 1 calc GR . . . .
 H29B H -0.090708 0.604617 0.413622 0.079 Uiso 1 1 calc GR . . . .
 H29C H -0.201554 0.590442 0.455230 0.079 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 O1 1.4324(18) . ?
 S1 O2 1.4331(18) . ?
 S1 N1 1.6554(19) . ?
 S1 C23 1.755(2) . ?
 O3 C2 1.196(3) . ?
 O4 C1 1.445(3) . ?
 O4 C2 1.335(3) . ?
 N1 C15 1.486(3) . ?
 N1 C16 1.409(3) . ?
 C1 H1A 0.9800 . ?
 C1 H1B 0.9800 . ?
 C1 H1C 0.9800 . ?
 C2 C3 1.508(3) . ?
 C3 C4 1.521(3) . ?
 C3 C10 1.581(3) . ?
 C3 C12 1.535(3) . ?
 C4 C5 1.389(3) . ?
 C4 C9 1.386(3) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.381(3) . ?
 C6 H6 0.9500 . ?
 C6 C7 1.385(3) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.376(4) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.396(3) . ?
 C9 H9 0.9500 . ?
 C10 H10A 0.9900 . ?
 C10 H10B 0.9900 . ?
 C10 C11 1.528(3) . ?
 C11 C12 1.458(3) . ?
 C11 C16 1.334(3) . ?
 C12 C13 1.326(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.500(3) . ?
 C14 H14A 0.9900 . ?
 C14 H14B 0.9900 . ?
 C14 C15 1.554(3) . ?
 C15 H15 1.0000 . ?
 C15 C17 1.517(3) . ?
 C16 H16 0.9500 . ?
 C17 C18 1.394(3) . ?
 C17 C22 1.380(3) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.382(4) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.378(4) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.370(4) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.382(4) . ?
 C22 H22 0.9500 . ?
 C23 C24 1.384(3) . ?
 C23 C28 1.386(3) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.389(4) . ?
 C25 H25 0.9500 . ?
 C25 C26 1.387(4) . ?
 C26 C27 1.382(3) . ?
 C26 C29 1.505(3) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.380(3) . ?
 C28 H28 0.9500 . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?

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
 O1 S1 O2 120.05(11) . . ?
 O1 S1 N1 106.63(10) . . ?
 O1 S1 C23 109.45(11) . . ?
 O2 S1 N1 106.85(10) . . ?
 O2 S1 C23 107.08(11) . . ?
 N1 S1 C23 105.95(10) . . ?
 C2 O4 C1 116.8(2) . . ?
 C15 N1 S1 116.15(15) . . ?
 C16 N1 S1 119.27(15) . . ?
 C16 N1 C15 122.40(19) . . ?
 O4 C1 H1A 109.5 . . ?
 O4 C1 H1B 109.5 . . ?
 O4 C1 H1C 109.5 . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 O3 C2 O4 123.6(2) . . ?
 O3 C2 C3 126.4(2) . . ?
 O4 C2 C3 109.9(2) . . ?
 C2 C3 C4 110.08(19) . . ?
 C2 C3 C10 115.79(19) . . ?
 C2 C3 C12 114.27(19) . . ?
 C4 C3 C10 111.36(18) . . ?
 C4 C3 C12 116.60(18) . . ?
 C12 C3 C10 87.24(17) . . ?
 C5 C4 C3 119.6(2) . . ?
 C9 C4 C3 121.4(2) . . ?
 C9 C4 C5 118.9(2) . . ?
 C4 C5 H5 119.5 . . ?
 C6 C5 C4 121.0(2) . . ?
 C6 C5 H5 119.5 . . ?
 C5 C6 H6 120.2 . . ?
 C5 C6 C7 119.6(2) . . ?
 C7 C6 H6 120.2 . . ?
 C6 C7 H7 119.9 . . ?
 C8 C7 C6 120.3(2) . . ?
 C8 C7 H7 119.9 . . ?
 C7 C8 H8 120.0 . . ?
 C7 C8 C9 119.9(2) . . ?
 C9 C8 H8 120.0 . . ?
 C4 C9 C8 120.2(2) . . ?
 C4 C9 H9 119.9 . . ?
 C8 C9 H9 119.9 . . ?
 C3 C10 H10A 114.1 . . ?
 C3 C10 H10B 114.1 . . ?
 H10A C10 H10B 111.2 . . ?
 C11 C10 C3 87.57(16) . . ?
 C11 C10 H10A 114.1 . . ?
 C11 C10 H10B 114.1 . . ?
 C12 C11 C10 92.11(18) . . ?
 C16 C11 C10 133.9(2) . . ?
 C16 C11 C12 133.9(2) . . ?
 C11 C12 C3 91.88(17) . . ?
 C13 C12 C3 137.7(2) . . ?
 C13 C12 C11 130.0(2) . . ?
 C12 C13 H13 120.5 . . ?
 C12 C13 C14 119.1(2) . . ?
 C14 C13 H13 120.5 . . ?
 C13 C14 H14A 108.6 . . ?
 C13 C14 H14B 108.6 . . ?
 C13 C14 C15 114.67(18) . . ?
 H14A C14 H14B 107.6 . . ?
 C15 C14 H14A 108.6 . . ?
 C15 C14 H14B 108.6 . . ?
 N1 C15 C14 113.15(18) . . ?
 N1 C15 H15 105.6 . . ?
 N1 C15 C17 112.29(18) . . ?
 C14 C15 H15 105.6 . . ?
 C17 C15 C14 113.71(19) . . ?
 C17 C15 H15 105.6 . . ?
 N1 C16 H16 117.6 . . ?
 C11 C16 N1 124.8(2) . . ?
 C11 C16 H16 117.6 . . ?
 C18 C17 C15 119.8(2) . . ?
 C22 C17 C15 122.5(2) . . ?
 C22 C17 C18 117.6(2) . . ?
 C17 C18 H18 119.5 . . ?
 C19 C18 C17 121.0(2) . . ?
 C19 C18 H18 119.5 . . ?
 C18 C19 H19 119.8 . . ?
 C20 C19 C18 120.3(3) . . ?
 C20 C19 H19 119.8 . . ?
 C19 C20 H20 120.4 . . ?
 C21 C20 C19 119.2(2) . . ?
 C21 C20 H20 120.4 . . ?
 C20 C21 H21 119.7 . . ?
 C20 C21 C22 120.6(3) . . ?
 C22 C21 H21 119.7 . . ?
 C17 C22 C21 121.3(2) . . ?
 C17 C22 H22 119.3 . . ?
 C21 C22 H22 119.3 . . ?
 C24 C23 S1 120.73(19) . . ?
 C24 C23 C28 120.8(2) . . ?
 C28 C23 S1 118.35(18) . . ?
 C23 C24 H24 120.7 . . ?
 C23 C24 C25 118.6(2) . . ?
 C25 C24 H24 120.7 . . ?
 C24 C25 H25 119.2 . . ?
 C26 C25 C24 121.5(2) . . ?
 C26 C25 H25 119.2 . . ?
 C25 C26 C29 121.6(2) . . ?
 C27 C26 C25 118.3(2) . . ?
 C27 C26 C29 120.1(2) . . ?
 C26 C27 H27 119.3 . . ?
 C28 C27 C26 121.4(2) . . ?
 C28 C27 H27 119.3 . . ?
 C23 C28 H28 120.4 . . ?
 C27 C28 C23 119.3(2) . . ?
 C27 C28 H28 120.4 . . ?
 C26 C29 H29A 109.5 . . ?
 C26 C29 H29B 109.5 . . ?
 C26 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'
