data_a
_audit_creation_date               2019-07-21
_audit_creation_method
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2017/1'
_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. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety           'C66 H84 O12, C7 H7 Cl'
_chemical_formula_sum              'C73 H91 Cl O12'
_chemical_formula_weight           1195.90
_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'
 '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                     11.2674(5)
_cell_length_b                     12.9976(5)
_cell_length_c                     22.3812(11)
_cell_angle_alpha                  90
_cell_angle_beta                   91.927(2)
_cell_angle_gamma                  90
_cell_volume                       3275.9(3)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9994
_cell_measurement_temperature      273(2)
_cell_measurement_theta_max        26.37
_cell_measurement_theta_min        3.04
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.120
_exptl_absorpt_correction_T_max    0.7454
_exptl_absorpt_correction_T_min    0.6593
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0870 before and 0.0626 after correction.
The Ratio of minimum to maximum transmission is 0.8845.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.212
_exptl_crystal_density_meas        .
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         block
_exptl_crystal_F_000               1284
_exptl_crystal_size_max            ?
_exptl_crystal_size_mid            ?
_exptl_crystal_size_min            ?
_exptl_special_details
;
 ? 
;
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0490
_diffrn_reflns_av_unetI/netI       0.0349
_diffrn_reflns_Laue_measured_fraction_full  0.995
_diffrn_reflns_Laue_measured_fraction_max  0.991
_diffrn_reflns_limit_h_max         14
_diffrn_reflns_limit_h_min         -14
_diffrn_reflns_limit_k_max         16
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         27
_diffrn_reflns_limit_l_min         -27
_diffrn_reflns_number              35208
_diffrn_reflns_point_group_measured_fraction_full  0.995
_diffrn_reflns_point_group_measured_fraction_max  0.991
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.425
_diffrn_reflns_theta_min           2.971
_diffrn_ambient_temperature        273.15
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.995
_diffrn_measured_fraction_theta_max  0.991
_diffrn_measurement_device_type    'CCD area detector'
_diffrn_measurement_method         'phi and omega scans'
_diffrn_radiation_monochromator    'graphite'
_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                  4926
_reflns_number_total               6680
_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         ?
_computing_data_collection         ?
_computing_data_reduction          ?
_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-97 (Sheldrick, 1990)'
_refine_diff_density_max           0.796
_refine_diff_density_min           -0.632
_refine_diff_density_rms           0.061
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.049
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       419
_refine_ls_number_reflns           6680
_refine_ls_number_restraints       64
_refine_ls_R_factor_all            0.0876
_refine_ls_R_factor_gt             0.0622
_refine_ls_restrained_S_all        1.069
_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)+(0.0950P)²+2.4671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1624
_refine_ls_wR_factor_ref           0.1852
_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. Restrained distances
 C1-C1S
 1.73 with sigma of 0.01
 C1S-C1
 1.53 with sigma of 0.02
 C6S-C1 \\sim C1-C2S
 with sigma of 0.02
3. Restrained planarity
 C1, C1S, C6S, C2S
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C2S \\sim C4S \\sim C5S \\sim C6S \\sim C3S \\sim C1S: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02
C1 \\sim C1S \\sim C2S \\sim C6S \\sim C3S \\sim C5S \\sim C4S: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
Cl7S \\sim C1S \\sim C2S \\sim C6S \\sim C1 \\sim C3S \\sim C5S \\sim C4S:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq, Uanis(C1S) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
5. Others
 Fixed Sof: C1S(0.5) C2S(0.5) C3S(0.5) H3S(0.5) C4S(0.5) H4S(0.5) C5S(0.5)
 H5S(0.5) C6S(0.5) H6S(0.5) Cl7S(0.5) C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C14(H14A,H14B), C22(H22A,H22B), C32(H32A,H32B), C49(H49A,H49B),
 C51(H51A,H51B), C55(H55A,H55B), C56(H56A,H56B), C57(H57A,H57B)
6.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C16(H16), C17(H17), C21(H21), C26(H26), C27(H27), C3S(H3S),
 C4S(H4S), C5S(H5S), C6S(H6S)
6.c Fitted hexagon refined as free rotating group:
 C1S(C2S,C3S,C4S,C5S,C6S)
6.d Idealised Me refined as rotating group:
 C50(H50A,H50B,H50C), C52(H52A,H52B,H52C), C54(H54A,H54B,H54C), C58(H58A,H58B,
 H58C), C59(H59A,H59B,H59C), C61(H61A,H61B,H61C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       ?
_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
 O6 O -0.07397(12) 0.23641(12) 0.12577(6) 0.0273(3) Uani 1 1 d . . . . .
 O4 O 0.26277(12) 0.06533(11) 0.18762(7) 0.0278(4) Uani 1 1 d . . . . .
 O3 O -0.18164(14) -0.06037(12) 0.25476(8) 0.0332(4) Uani 1 1 d . . . . .
 O5 O 0.36552(13) 0.38931(13) 0.06766(6) 0.0330(4) Uani 1 1 d . . . . .
 C5 C 0.10574(19) 0.21961(15) 0.21332(8) 0.0214(4) Uani 1 1 d . . . . .
 H5A H 0.177704 0.228870 0.237747 0.026 Uiso 1 1 calc R . . . .
 H5B H 0.043905 0.259852 0.231363 0.026 Uiso 1 1 calc R . . . .
 O2 O -0.31496(15) -0.27460(15) 0.06903(8) 0.0421(5) Uani 1 1 d . . . . .
 C7 C -0.07154(18) -0.02531(16) 0.23882(9) 0.0226(4) Uani 1 1 d . . . . .
 C8 C 0.01187(18) -0.10166(15) 0.22830(8) 0.0210(4) Uani 1 1 d . . . . .
 C10 C 0.16415(18) 0.36200(15) 0.04145(8) 0.0198(4) Uani 1 1 d . . . . .
 C11 C 0.03400(17) 0.27451(15) 0.10948(9) 0.0207(4) Uani 1 1 d . . . . .
 C12 C 0.05294(18) 0.32320(15) 0.05527(8) 0.0215(4) Uani 1 1 d . . . . .
 H12 H -0.010003 0.330044 0.027595 0.026 Uiso 1 1 calc R . . . .
 C13 C 0.12692(18) 0.26386(15) 0.15181(8) 0.0198(4) Uani 1 1 d . . . . .
 C14 C -0.0192(2) -0.21414(15) 0.23577(9) 0.0240(4) Uani 1 1 d . . . . .
 H14A H -0.081898 -0.219981 0.264249 0.029 Uiso 1 1 calc R . . . .
 H14B H 0.049752 -0.250307 0.252194 0.029 Uiso 1 1 calc R . . . .
 C15 C 0.07068(18) 0.10731(15) 0.21617(8) 0.0198(4) Uani 1 1 d . . . . .
 C16 C -0.04161(18) 0.07798(16) 0.23340(9) 0.0231(4) Uani 1 1 d . . . . .
 H16 H -0.097672 0.128186 0.241438 0.028 Uiso 1 1 calc R . . . .
 C17 C 0.12453(18) -0.07224(15) 0.21156(8) 0.0220(4) Uani 1 1 d . . . . .
 H17 H 0.181348 -0.122475 0.204891 0.026 Uiso 1 1 calc R . . . .
 C18 C -0.05966(18) -0.26562(15) 0.17761(8) 0.0218(4) Uani 1 1 d . . . . .
 C19 C 0.15386(17) 0.03047(15) 0.20461(8) 0.0208(4) Uani 1 1 d . . . . .
 C20 C 0.25773(18) 0.34917(16) 0.08287(9) 0.0227(4) Uani 1 1 d . . . . .
 C21 C 0.23812(18) 0.30031(16) 0.13744(9) 0.0237(4) Uani 1 1 d . . . . .
 H21 H 0.301377 0.292068 0.164790 0.028 Uiso 1 1 calc R . . . .
 C22 C 0.17977(19) 0.42185(16) -0.01613(8) 0.0234(4) Uani 1 1 d . . . . .
 H22A H 0.137292 0.486513 -0.013467 0.028 Uiso 1 1 calc R . . . .
 H22B H 0.263329 0.437794 -0.019718 0.028 Uiso 1 1 calc R . . . .
 O1 O 0.12105(16) -0.35404(16) 0.17873(8) 0.0525(6) Uani 1 1 d . . . . .
 C24 C -0.20795(18) -0.29300(16) 0.09861(9) 0.0245(4) Uani 1 1 d . . . . .
 C25 C -0.13666(18) -0.36625(15) 0.07196(8) 0.0212(4) Uani 1 1 d . . . . .
 C26 C -0.0265(2) -0.38657(17) 0.09827(9) 0.0275(5) Uani 1 1 d . . . . .
 H26 H 0.022205 -0.435288 0.081062 0.033 Uiso 1 1 calc R . . . .
 C27 C -0.17033(19) -0.24470(16) 0.15125(9) 0.0253(4) Uani 1 1 d . . . . .
 H27 H -0.220079 -0.197571 0.169144 0.030 Uiso 1 1 calc R . . . .
 C28 C 0.0134(2) -0.33576(17) 0.15003(9) 0.0285(5) Uani 1 1 d . . . . .
 C32 C 0.2049(3) -0.4184(3) 0.15037(12) 0.0559(9) Uani 1 1 d . . . . .
 H32A H 0.164433 -0.478047 0.133422 0.067 Uiso 1 1 calc R . . . .
 H32B H 0.263556 -0.442508 0.179883 0.067 Uiso 1 1 calc R . . . .
 C49 C -0.2716(2) 0.01172(17) 0.26871(11) 0.0326(5) Uani 1 1 d . . . . .
 H49A H -0.287623 0.057614 0.235231 0.039 Uiso 1 1 calc R . . . .
 H49B H -0.247311 0.052493 0.303303 0.039 Uiso 1 1 calc R . . . .
 C50 C -0.3798(2) -0.0509(2) 0.28166(14) 0.0476(7) Uani 1 1 d . . . . .
 H50A H -0.398446 -0.095241 0.248357 0.071 Uiso 1 1 calc GR . . . .
 H50B H -0.445581 -0.005724 0.288070 0.071 Uiso 1 1 calc GR . . . .
 H50C H -0.364534 -0.091700 0.316834 0.071 Uiso 1 1 calc GR . . . .
 C51 C 0.4609(2) 0.3856(2) 0.11084(10) 0.0368(6) Uani 1 1 d . . . . .
 H51A H 0.481119 0.314769 0.120236 0.044 Uiso 1 1 calc R . . . .
 H51B H 0.438645 0.419796 0.147330 0.044 Uiso 1 1 calc R . . . .
 C52 C 0.4582(2) 0.0500(2) 0.15497(15) 0.0511(8) Uani 1 1 d . . . . .
 H52A H 0.436273 0.086305 0.118910 0.077 Uiso 1 1 calc GR . . . .
 H52B H 0.521145 0.002604 0.147178 0.077 Uiso 1 1 calc GR . . . .
 H52C H 0.484488 0.098210 0.185071 0.077 Uiso 1 1 calc GR . . . .
 C54 C 0.5652(2) 0.4396(2) 0.08421(12) 0.0465(7) Uani 1 1 d . . . . .
 H54A H 0.585410 0.405832 0.047779 0.070 Uiso 1 1 calc GR . . . .
 H54B H 0.631926 0.437299 0.112006 0.070 Uiso 1 1 calc GR . . . .
 H54C H 0.544653 0.509937 0.075908 0.070 Uiso 1 1 calc GR . . . .
 C55 C -0.1685(2) 0.2366(2) 0.08218(11) 0.0427(7) Uani 1 1 d . . . . .
 H55A H -0.143910 0.203612 0.045736 0.051 Uiso 1 1 calc R . . . .
 H55B H -0.192683 0.306522 0.072838 0.051 Uiso 1 1 calc R . . . .
 C56 C 0.3519(2) -0.00862(19) 0.17662(13) 0.0402(6) Uani 1 1 d . . . . .
 H56A H 0.323928 -0.057376 0.146500 0.048 Uiso 1 1 calc R . . . .
 H56B H 0.372821 -0.046061 0.212954 0.048 Uiso 1 1 calc R . . . .
 C57 C -0.3875(3) -0.1939(3) 0.08901(14) 0.0607(9) Uani 1 1 d . . . . .
 H57A H -0.341947 -0.130976 0.093621 0.073 Uiso 1 1 calc R . . . .
 H57B H -0.420576 -0.211304 0.127188 0.073 Uiso 1 1 calc R . . . .
 C58 C -0.2696(2) 0.1780(3) 0.10853(13) 0.0635(10) Uani 1 1 d . . . . .
 H58A H -0.335962 0.177061 0.080499 0.095 Uiso 1 1 calc GR . . . .
 H58B H -0.292397 0.210948 0.144785 0.095 Uiso 1 1 calc GR . . . .
 H58C H -0.244800 0.108768 0.117105 0.095 Uiso 1 1 calc GR . . . .
 C59 C 0.2661(3) -0.3616(3) 0.10193(16) 0.0698(10) Uani 1 1 d . . . . .
 H59A H 0.208309 -0.338859 0.072331 0.105 Uiso 1 1 calc GR . . . .
 H59B H 0.322054 -0.406484 0.083669 0.105 Uiso 1 1 calc GR . . . .
 H59C H 0.307148 -0.303157 0.118761 0.105 Uiso 1 1 calc GR . . . .
 C61 C -0.4858(3) -0.1807(4) 0.04159(16) 0.0836(14) Uani 1 1 d . . . . .
 H61A H -0.451824 -0.161771 0.004386 0.125 Uiso 1 1 calc GR . . . .
 H61B H -0.539229 -0.127754 0.053719 0.125 Uiso 1 1 calc GR . . . .
 H61C H -0.528389 -0.244274 0.036653 0.125 Uiso 1 1 calc GR . . . .
 C1S C -0.0609(3) -0.0391(3) 0.00223(18) 0.0443(14) Uani 0.5 1 d D U P A -1
 C2S C -0.0097(4) 0.0509(3) -0.01839(18) 0.0517(15) Uani 0.5 1 d DG U P A -1
 C3S C 0.1051(4) 0.0774(3) 0.00036(18) 0.0547(16) Uani 0.5 1 d G U P A -1
 H3S H 0.139337 0.137585 -0.013437 0.066 Uiso 0.5 1 calc R . P A -1
 C4S C 0.1688(3) 0.0138(3) 0.03972(18) 0.0619(16) Uani 0.5 1 d G U P A -1
 H4S H 0.245647 0.031428 0.052263 0.074 Uiso 0.5 1 calc R . P A -1
 C5S C 0.1176(3) -0.0763(3) 0.06034(17) 0.0641(18) Uani 0.5 1 d G U P A -1
 H5S H 0.160261 -0.118822 0.086674 0.077 Uiso 0.5 1 calc R . P A -1
 C6S C 0.0028(4) -0.1027(2) 0.04159(16) 0.0474(13) Uani 0.5 1 d DG U P A -1
 H6S H -0.031435 -0.162917 0.055385 0.057 Uiso 0.5 1 calc R . P A -1
 Cl7S Cl -0.0850(2) 0.13079(14) -0.06399(7) 0.0680(5) Uani 0.5 1 d . U P A -1
 C1 C -0.1985(5) -0.0731(4) -0.0196(2) 0.0521(16) Uani 0.5 1 d D U P A -1
 H1A H -0.253487 -0.021428 -0.007442 0.078 Uiso 0.5 1 calc GR . P A -1
 H1B H -0.218061 -0.137722 -0.001614 0.078 Uiso 0.5 1 calc GR . P A -1
 H1C H -0.202978 -0.079857 -0.062345 0.078 Uiso 0.5 1 calc GR . P A -1


_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
 O6 C11 1.374(2) . ?
 O6 C55 1.420(3) . ?
 O4 C19 1.374(2) . ?
 O4 C56 1.417(3) . ?
 O3 C7 1.380(2) . ?
 O3 C49 1.423(3) . ?
 O5 C20 1.375(2) . ?
 O5 C51 1.422(3) . ?
 C5 C13 1.518(3) . ?
 C5 C15 1.514(3) . ?
 O2 C24 1.377(3) . ?
 O2 C57 1.411(3) . ?
 C7 C8 1.392(3) . ?
 C7 C16 1.391(3) . ?
 C8 C14 1.514(3) . ?
 C8 C17 1.389(3) . ?
 C10 C12 1.395(3) . ?
 C10 C20 1.390(3) . ?
 C10 C22 1.521(3) . ?
 C11 C12 1.391(3) . ?
 C11 C13 1.395(3) . ?
 C13 C21 1.387(3) . ?
 C14 C18 1.520(3) . ?
 C15 C16 1.388(3) . ?
 C15 C19 1.400(3) . ?
 C17 C19 1.385(3) . ?
 C18 C27 1.388(3) . ?
 C18 C28 1.387(3) . ?
 C20 C21 1.401(3) . ?
 C22 C25 1.510(3) 3 ?
 O1 C28 1.374(3) . ?
 O1 C32 1.427(3) . ?
 C24 C25 1.393(3) . ?
 C24 C27 1.389(3) . ?
 C25 C26 1.381(3) . ?
 C26 C28 1.395(3) . ?
 C32 C59 1.499(5) . ?
 C49 C50 1.502(3) . ?
 C51 C54 1.509(3) . ?
 C52 C56 1.513(3) . ?
 C55 C58 1.506(3) . ?
 C57 C61 1.517(4) . ?
 C1S C2S 1.3900 . ?
 C1S C6S 1.3900 . ?
 C1S C1 1.669(6) . ?
 C2S C3S 1.3900 . ?
 C2S Cl7S 1.667(3) . ?
 C3S C4S 1.3900 . ?
 C4S C5S 1.3900 . ?
 C5S C6S 1.3900 . ?

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
 C11 O6 C55 117.89(16) . . ?
 C19 O4 C56 117.97(17) . . ?
 C7 O3 C49 119.52(16) . . ?
 C20 O5 C51 118.19(16) . . ?
 C15 C5 C13 116.90(16) . . ?
 C24 O2 C57 118.94(18) . . ?
 O3 C7 C8 115.23(18) . . ?
 O3 C7 C16 124.35(18) . . ?
 C16 C7 C8 120.42(19) . . ?
 C7 C8 C14 120.64(18) . . ?
 C17 C8 C7 118.53(18) . . ?
 C17 C8 C14 120.83(18) . . ?
 C12 C10 C22 120.22(17) . . ?
 C20 C10 C12 118.39(17) . . ?
 C20 C10 C22 121.31(18) . . ?
 O6 C11 C12 123.95(18) . . ?
 O6 C11 C13 115.79(17) . . ?
 C12 C11 C13 120.25(18) . . ?
 C11 C12 C10 121.53(18) . . ?
 C11 C13 C5 121.07(18) . . ?
 C21 C13 C5 120.67(17) . . ?
 C21 C13 C11 118.15(18) . . ?
 C8 C14 C18 113.23(16) . . ?
 C16 C15 C5 121.19(18) . . ?
 C16 C15 C19 118.52(18) . . ?
 C19 C15 C5 120.19(18) . . ?
 C15 C16 C7 121.02(19) . . ?
 C19 C17 C8 121.27(19) . . ?
 C27 C18 C14 121.12(18) . . ?
 C28 C18 C14 120.36(18) . . ?
 C28 C18 C27 118.51(18) . . ?
 O4 C19 C15 115.20(17) . . ?
 O4 C19 C17 124.58(18) . . ?
 C17 C19 C15 120.20(18) . . ?
 O5 C20 C10 116.46(17) . . ?
 O5 C20 C21 123.68(18) . . ?
 C10 C20 C21 119.83(18) . . ?
 C13 C21 C20 121.81(18) . . ?
 C25 C22 C10 114.42(16) 3 . ?
 C28 O1 C32 118.76(18) . . ?
 O2 C24 C25 114.91(18) . . ?
 O2 C24 C27 124.54(19) . . ?
 C27 C24 C25 120.56(19) . . ?
 C24 C25 C22 120.50(18) . 3 ?
 C26 C25 C22 121.39(18) . 3 ?
 C26 C25 C24 118.11(18) . . ?
 C25 C26 C28 121.6(2) . . ?
 C18 C27 C24 121.08(19) . . ?
 C18 C28 C26 120.1(2) . . ?
 O1 C28 C18 115.67(18) . . ?
 O1 C28 C26 124.1(2) . . ?
 O1 C32 C59 111.1(3) . . ?
 O3 C49 C50 105.93(19) . . ?
 O5 C51 C54 107.27(19) . . ?
 O6 C55 C58 106.9(2) . . ?
 O4 C56 C52 106.7(2) . . ?
 O2 C57 C61 106.2(2) . . ?
 C2S C1S C6S 120.0 . . ?
 C2S C1S C1 121.2(2) . . ?
 C6S C1S C1 118.8(2) . . ?
 C1S C2S C3S 120.0 . . ?
 C1S C2S Cl7S 121.3(2) . . ?
 C3S C2S Cl7S 118.7(2) . . ?
 C4S C3S C2S 120.0 . . ?
 C3S C4S C5S 120.0 . . ?
 C6S C5S C4S 120.0 . . ?
 C5S C6S C1S 120.0 . . ?

_olex2_submission_special_instructions  'No special instructions were received'
