data_190102_qj4_51_1_2_0m
_audit_creation_date               2019-01-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2016/6'
_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           'C28 H25 Cl N2 O6 S'
_chemical_formula_sum              'C28 H25 Cl N2 O6 S'
_chemical_formula_weight           553.01
_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'
 'Cl' 'Cl' 0.1484 0.1585 '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        '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                     11.096(3)
_cell_length_b                     11.577(4)
_cell_length_c                     12.028(3)
_cell_angle_alpha                  62.158(10)
_cell_angle_beta                   89.182(9)
_cell_angle_gamma                  72.717(14)
_cell_volume                       1290.4(7)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9909
_cell_measurement_temperature      296(2)
_cell_measurement_theta_max        34.06
_cell_measurement_theta_min        3.31
_shelx_estimated_absorpt_T_max     0.913
_shelx_estimated_absorpt_T_min     0.889
_exptl_absorpt_coefficient_mu      0.276
_exptl_absorpt_correction_T_max    0.7468
_exptl_absorpt_correction_T_min    0.6448
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0780 before and 0.0455 after correction.
The Ratio of minimum to maximum transmission is 0.8634.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'light yellow'
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.423
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               576
_exptl_crystal_size_max            0.436
_exptl_crystal_size_mid            0.42
_exptl_crystal_size_min            0.336
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0232
_diffrn_reflns_av_unetI/netI       0.0360
_diffrn_reflns_Laue_measured_fraction_full  0.990
_diffrn_reflns_Laue_measured_fraction_max  0.989
_diffrn_reflns_limit_h_max         17
_diffrn_reflns_limit_h_min         -16
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -17
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              22445
_diffrn_reflns_point_group_measured_fraction_full  0.990
_diffrn_reflns_point_group_measured_fraction_max  0.989
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           34.278
_diffrn_reflns_theta_min           2.350
_diffrn_ambient_temperature        295.82
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.990
_diffrn_measured_fraction_theta_max  0.989
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  7528
_reflns_number_total               10661
_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           0.515
_refine_diff_density_min           -0.357
_refine_diff_density_rms           0.049
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.042
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       347
_refine_ls_number_reflns           10661
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0746
_refine_ls_R_factor_gt             0.0529
_refine_ls_restrained_S_all        1.042
_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)+(0.0803P)²+0.1936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1489
_refine_ls_wR_factor_ref           0.1659
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C17(H17), C18(H18), C19(H19), C20(H20),
 C21(H21), C23(H23), C24(H24), C26(H26), C27(H27)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C28(H28A,H28B,
 H28C)
;
_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
 Cl1 Cl 0.92722(6) 0.01186(6) 0.78934(6) 0.0919(2) Uani 1 1 d . . . . .
 S1 S 0.71755(3) 0.64093(4) 0.39287(3) 0.04074(9) Uani 1 1 d . . . . .
 O1 O 0.56514(8) 0.73210(10) 0.09694(9) 0.0398(2) Uani 1 1 d . . . . .
 O2 O 0.46481(9) 0.71983(10) 0.02825(10) 0.0443(2) Uani 1 1 d . . . . .
 O3 O 0.87272(9) 0.34888(11) 0.25550(11) 0.0495(3) Uani 1 1 d . . . . .
 O4 O 0.51976(9) 0.36604(10) 0.36195(9) 0.0441(2) Uani 1 1 d . . . . .
 O5 O 0.58317(9) 0.67684(11) 0.35711(10) 0.0492(2) Uani 1 1 d . . . . .
 O6 O 0.75516(12) 0.70798(13) 0.45427(12) 0.0583(3) Uani 1 1 d . . . . .
 N1 N 0.86109(10) 0.67462(12) 0.09118(11) 0.0395(2) Uani 1 1 d . . . . .
 N2 N 0.80032(11) 0.66423(12) 0.27674(11) 0.0414(2) Uani 1 1 d . . . . .
 C1 C 0.67831(14) 0.57055(16) -0.06670(14) 0.0452(3) Uani 1 1 d . . . . .
 H1 H 0.608740 0.538927 -0.051718 0.054 Uiso 1 1 calc R . . . .
 C2 C 0.73924(16) 0.58350(18) -0.17297(15) 0.0514(3) Uani 1 1 d . . . . .
 H2 H 0.709035 0.561629 -0.229931 0.062 Uiso 1 1 calc R . . . .
 C3 C 0.84446(16) 0.62880(16) -0.19366(14) 0.0516(4) Uani 1 1 d . . . . .
 H3 H 0.883459 0.637046 -0.264734 0.062 Uiso 1 1 calc R . . . .
 C4 C 0.89247(14) 0.66193(15) -0.11075(14) 0.0463(3) Uani 1 1 d . . . . .
 H4 H 0.963464 0.691150 -0.124039 0.056 Uiso 1 1 calc R . . . .
 C5 C 0.83007(12) 0.64961(13) -0.00707(12) 0.0381(2) Uani 1 1 d . . . . .
 C6 C 0.72392(12) 0.60572(13) 0.01471(12) 0.0373(2) Uani 1 1 d . . . . .
 C7 C 0.67510(11) 0.61124(12) 0.13128(11) 0.0343(2) Uani 1 1 d . . . . .
 C8 C 0.78132(11) 0.64948(12) 0.17857(12) 0.0356(2) Uani 1 1 d . . . . .
 C9 C 0.38988(15) 0.85821(16) -0.07085(15) 0.0523(4) Uani 1 1 d . . . . .
 C10 C 0.3353(2) 0.9521(2) -0.0150(2) 0.0703(5) Uani 1 1 d . . . . .
 H10A H 0.283269 0.913197 0.047137 0.106 Uiso 1 1 calc GR . . . .
 H10B H 0.284171 1.041434 -0.081337 0.106 Uiso 1 1 calc GR . . . .
 H10C H 0.403592 0.961342 0.024777 0.106 Uiso 1 1 calc GR . . . .
 C11 C 0.2856(2) 0.8209(3) -0.1152(3) 0.0994(9) Uani 1 1 d . . . . .
 H11A H 0.323538 0.757014 -0.145685 0.149 Uiso 1 1 calc GR . . . .
 H11B H 0.225852 0.903142 -0.182482 0.149 Uiso 1 1 calc GR . . . .
 H11C H 0.242049 0.779058 -0.045383 0.149 Uiso 1 1 calc GR . . . .
 C12 C 0.4677(3) 0.9166(3) -0.1736(2) 0.0936(8) Uani 1 1 d . . . . .
 H12A H 0.541487 0.921301 -0.137400 0.140 Uiso 1 1 calc GR . . . .
 H12B H 0.416981 1.007647 -0.237349 0.140 Uiso 1 1 calc GR . . . .
 H12C H 0.494315 0.857917 -0.211444 0.140 Uiso 1 1 calc GR . . . .
 C13 C 0.65706(11) 0.47918(12) 0.23121(11) 0.0337(2) Uani 1 1 d . . . . .
 C14 C 0.76551(11) 0.35190(13) 0.28508(11) 0.0348(2) Uani 1 1 d . . . . .
 C15 C 0.73695(12) 0.22865(13) 0.37815(12) 0.0366(2) Uani 1 1 d . . . . .
 C16 C 0.61552(12) 0.24064(13) 0.41282(12) 0.0384(2) Uani 1 1 d . . . . .
 C17 C 0.54399(12) 0.47889(14) 0.27311(12) 0.0391(3) Uani 1 1 d . . . . .
 H17 H 0.477626 0.562784 0.238181 0.047 Uiso 1 1 calc R . . . .
 C18 C 0.82921(15) 0.09647(15) 0.43326(15) 0.0493(3) Uani 1 1 d . . . . .
 H18 H 0.910785 0.085609 0.410842 0.059 Uiso 1 1 calc R . . . .
 C19 C 0.79963(18) -0.01719(17) 0.52032(18) 0.0613(4) Uani 1 1 d . . . . .
 H19 H 0.861087 -0.104549 0.556372 0.074 Uiso 1 1 calc R . . . .
 C20 C 0.67723(19) -0.00132(18) 0.55455(18) 0.0629(4) Uani 1 1 d . . . . .
 H20 H 0.658134 -0.078536 0.613787 0.075 Uiso 1 1 calc R . . . .
 C21 C 0.58457(16) 0.12681(16) 0.50192(15) 0.0514(3) Uani 1 1 d . . . . .
 H21 H 0.503360 0.137179 0.525218 0.062 Uiso 1 1 calc R . . . .
 C22 C 0.77867(12) 0.46079(15) 0.49897(12) 0.0386(2) Uani 1 1 d . . . . .
 C23 C 0.90762(13) 0.38666(16) 0.51626(15) 0.0460(3) Uani 1 1 d . . . . .
 H23 H 0.962439 0.430158 0.467328 0.055 Uiso 1 1 calc R . . . .
 C24 C 0.95389(15) 0.24836(18) 0.60627(16) 0.0527(4) Uani 1 1 d . . . . .
 H24 H 1.039910 0.197919 0.619063 0.063 Uiso 1 1 calc R . . . .
 C25 C 0.86986(16) 0.18619(17) 0.67708(15) 0.0527(3) Uani 1 1 d . . . . .
 C26 C 0.74130(15) 0.25743(18) 0.65998(14) 0.0527(4) Uani 1 1 d . . . . .
 H26 H 0.686582 0.212980 0.707973 0.063 Uiso 1 1 calc R . . . .
 C27 C 0.69545(13) 0.39610(16) 0.57018(13) 0.0444(3) Uani 1 1 d . . . . .
 H27 H 0.609257 0.445948 0.557423 0.053 Uiso 1 1 calc R . . . .
 C28 C 0.96989(14) 0.71605(17) 0.10262(16) 0.0499(3) Uani 1 1 d . . . . .
 H28A H 0.942736 0.814570 0.068258 0.075 Uiso 1 1 calc GR . . . .
 H28B H 1.033564 0.689292 0.056538 0.075 Uiso 1 1 calc GR . . . .
 H28C H 1.005149 0.671615 0.190615 0.075 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
 Cl1 C25 1.7371(18) . ?
 S1 O5 1.4368(12) . ?
 S1 O6 1.4349(12) . ?
 S1 N2 1.6205(12) . ?
 S1 C22 1.7710(16) . ?
 O1 O2 1.4738(14) . ?
 O1 C7 1.4413(15) . ?
 O2 C9 1.4601(18) . ?
 O3 C14 1.2321(14) . ?
 O4 C16 1.3724(17) . ?
 O4 C17 1.3481(16) . ?
 N1 C5 1.4105(19) . ?
 N1 C8 1.3468(15) . ?
 N1 C28 1.4550(18) . ?
 N2 C8 1.2979(18) . ?
 C1 H1 0.9300 . ?
 C1 C2 1.403(2) . ?
 C1 C6 1.375(2) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.391(2) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.385(2) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.3867(18) . ?
 C5 C6 1.3917(18) . ?
 C6 C7 1.5181(17) . ?
 C7 C8 1.5727(18) . ?
 C7 C13 1.5102(17) . ?
 C9 C10 1.510(2) . ?
 C9 C11 1.530(3) . ?
 C9 C12 1.505(3) . ?
 C10 H10A 0.9600 . ?
 C10 H10B 0.9600 . ?
 C10 H10C 0.9600 . ?
 C11 H11A 0.9600 . ?
 C11 H11B 0.9600 . ?
 C11 H11C 0.9600 . ?
 C12 H12A 0.9600 . ?
 C12 H12B 0.9600 . ?
 C12 H12C 0.9600 . ?
 C13 C14 1.4547(17) . ?
 C13 C17 1.3458(16) . ?
 C14 C15 1.4683(17) . ?
 C15 C16 1.3913(17) . ?
 C15 C18 1.404(2) . ?
 C16 C21 1.3937(19) . ?
 C17 H17 0.9300 . ?
 C18 H18 0.9300 . ?
 C18 C19 1.377(2) . ?
 C19 H19 0.9300 . ?
 C19 C20 1.398(3) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.376(2) . ?
 C21 H21 0.9300 . ?
 C22 C23 1.3927(19) . ?
 C22 C27 1.3916(19) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.381(2) . ?
 C24 H24 0.9300 . ?
 C24 C25 1.384(2) . ?
 C25 C26 1.381(2) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.383(2) . ?
 C27 H27 0.9300 . ?
 C28 H28A 0.9600 . ?
 C28 H28B 0.9600 . ?
 C28 H28C 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
 O5 S1 N2 114.46(7) . . ?
 O5 S1 C22 107.95(7) . . ?
 O6 S1 O5 117.14(7) . . ?
 O6 S1 N2 105.10(7) . . ?
 O6 S1 C22 106.87(8) . . ?
 N2 S1 C22 104.37(6) . . ?
 C7 O1 O2 106.35(9) . . ?
 C9 O2 O1 108.36(11) . . ?
 C17 O4 C16 118.55(10) . . ?
 C5 N1 C28 124.91(11) . . ?
 C8 N1 C5 112.24(11) . . ?
 C8 N1 C28 122.78(12) . . ?
 C8 N2 S1 128.09(10) . . ?
 C2 C1 H1 120.8 . . ?
 C6 C1 H1 120.8 . . ?
 C6 C1 C2 118.43(14) . . ?
 C1 C2 H2 119.8 . . ?
 C3 C2 C1 120.45(15) . . ?
 C3 C2 H2 119.8 . . ?
 C2 C3 H3 119.3 . . ?
 C4 C3 C2 121.45(13) . . ?
 C4 C3 H3 119.3 . . ?
 C3 C4 H4 121.4 . . ?
 C3 C4 C5 117.10(14) . . ?
 C5 C4 H4 121.4 . . ?
 C4 C5 N1 128.01(13) . . ?
 C4 C5 C6 122.34(14) . . ?
 C6 C5 N1 109.65(11) . . ?
 C1 C6 C5 120.20(12) . . ?
 C1 C6 C7 130.93(12) . . ?
 C5 C6 C7 108.83(12) . . ?
 O1 C7 C6 111.60(10) . . ?
 O1 C7 C8 101.57(10) . . ?
 O1 C7 C13 113.27(9) . . ?
 C6 C7 C8 101.22(9) . . ?
 C13 C7 C6 114.75(11) . . ?
 C13 C7 C8 113.05(10) . . ?
 N1 C8 C7 107.65(11) . . ?
 N2 C8 N1 119.22(12) . . ?
 N2 C8 C7 133.09(10) . . ?
 O2 C9 C10 110.93(14) . . ?
 O2 C9 C11 98.47(15) . . ?
 O2 C9 C12 110.80(15) . . ?
 C10 C9 C11 111.22(18) . . ?
 C12 C9 C10 112.20(19) . . ?
 C12 C9 C11 112.5(2) . . ?
 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 . . ?
 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 . . ?
 C9 C12 H12A 109.5 . . ?
 C9 C12 H12B 109.5 . . ?
 C9 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C14 C13 C7 118.88(10) . . ?
 C17 C13 C7 121.02(11) . . ?
 C17 C13 C14 120.07(11) . . ?
 O3 C14 C13 122.33(11) . . ?
 O3 C14 C15 123.07(11) . . ?
 C13 C14 C15 114.60(10) . . ?
 C16 C15 C14 120.12(11) . . ?
 C16 C15 C18 118.18(12) . . ?
 C18 C15 C14 121.69(12) . . ?
 O4 C16 C15 121.64(11) . . ?
 O4 C16 C21 116.26(12) . . ?
 C15 C16 C21 122.10(13) . . ?
 O4 C17 H17 117.6 . . ?
 C13 C17 O4 124.88(12) . . ?
 C13 C17 H17 117.6 . . ?
 C15 C18 H18 119.8 . . ?
 C19 C18 C15 120.37(14) . . ?
 C19 C18 H18 119.8 . . ?
 C18 C19 H19 120.0 . . ?
 C18 C19 C20 120.02(15) . . ?
 C20 C19 H19 120.0 . . ?
 C19 C20 H20 119.5 . . ?
 C21 C20 C19 121.00(14) . . ?
 C21 C20 H20 119.5 . . ?
 C16 C21 H21 120.8 . . ?
 C20 C21 C16 118.31(14) . . ?
 C20 C21 H21 120.8 . . ?
 C23 C22 S1 121.27(11) . . ?
 C27 C22 S1 118.10(10) . . ?
 C27 C22 C23 120.54(13) . . ?
 C22 C23 H23 120.1 . . ?
 C24 C23 C22 119.82(14) . . ?
 C24 C23 H23 120.1 . . ?
 C23 C24 H24 120.6 . . ?
 C23 C24 C25 118.78(14) . . ?
 C25 C24 H24 120.6 . . ?
 C24 C25 Cl1 118.99(13) . . ?
 C26 C25 Cl1 118.75(13) . . ?
 C26 C25 C24 122.25(15) . . ?
 C25 C26 H26 120.6 . . ?
 C25 C26 C27 118.78(14) . . ?
 C27 C26 H26 120.6 . . ?
 C22 C27 H27 120.1 . . ?
 C26 C27 C22 119.81(13) . . ?
 C26 C27 H27 120.1 . . ?
 N1 C28 H28A 109.5 . . ?
 N1 C28 H28B 109.5 . . ?
 N1 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?

_olex2_submission_special_instructions  'No special instructions were received'
