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

data_weiyl_0719
_audit_creation_date              2018-07-20
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_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. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          'C26 H21 N O2'
_chemical_formula_sum             'C26 H21 N O2'
_chemical_formula_weight          379.44
_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' 0.0181 0.0091 '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' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x, -y-1/2, z-1/2'

_cell_length_a                    14.7360(8)
_cell_length_b                    11.6168(7)
_cell_length_c                    11.8487(7)
_cell_angle_alpha                 90.00
_cell_angle_beta                  108.619(6)
_cell_angle_gamma                 90.00
_cell_volume                      1922.16(19)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     3225
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       69.5770
_cell_measurement_theta_min       6.2970
_exptl_absorpt_coefficient_mu     0.652
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.90656
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             'clear light yellow'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    light
_exptl_crystal_colour_primary     yellow
_exptl_crystal_density_diffrn     1.311
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        block
_exptl_crystal_F_000              800
_exptl_crystal_size_max           0.21
_exptl_crystal_size_mid           0.17
_exptl_crystal_size_min           0.14
_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents   0.0166
_diffrn_reflns_av_unetI/netI      0.0220
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_h_min        -17
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_limit_l_min        -12
_diffrn_reflns_number             6677
_diffrn_reflns_theta_full         66.59
_diffrn_reflns_theta_max          66.59
_diffrn_reflns_theta_min          5.48
_diffrn_ambient_temperature       293(2)
_diffrn_detector_area_resol_mean  16.0733
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -71.00  -38.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       -8.5000  178.0000 -120.0000 22

#__ type_ start__ end____ width___ exp.time_
  2 omega  -39.00  -12.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       -8.5000  125.0000 -120.0000 18

#__ type_ start__ end____ width___ exp.time_
  3 omega  -61.00  -34.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       -8.5000  178.0000 -180.0000 18

#__ type_ start__ end____ width___ exp.time_
  4 omega  -85.00  -40.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       -8.5000  178.0000   30.0000 30

#__ type_ start__ end____ width___ exp.time_
  5 omega   34.00  127.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000   38.0000 -180.0000 62

#__ type_ start__ end____ width___ exp.time_
  6 omega    2.00   87.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -99.0000   30.0000 57

#__ type_ start__ end____ width___ exp.time_
  7 omega   38.00  120.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000   60.0000 55

#__ type_ start__ end____ width___ exp.time_
  8 omega   66.00   94.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -120.0000 19

#__ type_ start__ end____ width___ exp.time_
  9 omega   53.00   80.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  -30.0000 18

#__ type_ start__ end____ width___ exp.time_
 10 omega   53.00   92.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
 11 omega   99.00  171.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   63.0000 -150.0000 48

#__ type_ start__ end____ width___ exp.time_
 12 omega   50.00  101.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000 -120.0000 34

#__ type_ start__ end____ width___ exp.time_
 13 omega   36.00   72.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   12.0000 -180.0000 24

#__ type_ start__ end____ width___ exp.time_
 14 omega   57.00  103.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000 -180.0000 31

#__ type_ start__ end____ width___ exp.time_
 15 omega   42.00   93.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -50.0000  120.0000 34

#__ type_ start__ end____ width___ exp.time_
 16 omega   53.00   86.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000   30.0000 22

#__ type_ start__ end____ width___ exp.time_
 17 omega   84.00  109.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   12.0000 -180.0000 17

#__ type_ start__ end____ width___ exp.time_
 18 omega  153.00  178.50   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   12.0000 -180.0000 17

#__ type_ start__ end____ width___ exp.time_
 19 omega  106.00  160.00   1.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      108.0000   38.0000    0.0000 36
;
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_UB_11       -0.0912526000
_diffrn_orient_matrix_UB_12       0.0688560000
_diffrn_orient_matrix_UB_13       -0.0081508000
_diffrn_orient_matrix_UB_21       -0.0368258000
_diffrn_orient_matrix_UB_22       -0.1012836000
_diffrn_orient_matrix_UB_23       0.0572567000
_diffrn_orient_matrix_UB_31       0.0499042000
_diffrn_orient_matrix_UB_32       0.0511072000
_diffrn_orient_matrix_UB_33       0.1243195000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'SuperNova (Cu) X-ray Source'
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 2874
_reflns_number_total              3303
_reflns_odcompleteness_completeness 96.96
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      66.97
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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 (Sheldrick, 2008)'
_refine_diff_density_max          0.152
_refine_diff_density_min          -0.155
_refine_diff_density_rms          0.030
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.070
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      264
_refine_ls_number_reflns          3303
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0435
_refine_ls_R_factor_gt            0.0375
_refine_ls_restrained_S_all       1.070
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0480P)²+0.3600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0967
_refine_ls_wR_factor_ref          0.1017
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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 Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C11(H11), C12(H12), C13(H13), C14(H14),
 C21(H21), C22(H22), C23(H23), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
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_calc_flag
  _atom_site_disorder_assembly
  _atom_site_disorder_group
  _atom_site_refinement_flags_posn
 O1 O 0.37637(8) 0.06625(9) 0.68672(10) 0.0520(3) Uani 1 d . . .
 O2 O 0.21551(8) 0.26414(11) 0.59680(9) 0.0595(3) Uani 1 d . . .
 N1 N 0.13019(7) 0.15108(10) 0.68138(9) 0.0361(3) Uani 1 d . . .
 C1 C 0.04107(10) 0.15602(13) 0.59126(12) 0.0400(3) Uani 1 d . . .
 C2 C 0.01283(12) 0.21317(15) 0.48277(14) 0.0529(4) Uani 1 d . . .
 H2 H 0.0556 0.2572 0.4578 0.063 Uiso 1 calc . . R
 C3 C -0.08216(13) 0.20137(19) 0.41344(16) 0.0672(5) Uani 1 d . . .
 H3 H -0.1036 0.2385 0.3401 0.081 Uiso 1 calc . . R
 C4 C -0.14619(13) 0.1357(2) 0.45036(17) 0.0719(6) Uani 1 d . . .
 H4 H -0.2093 0.1290 0.4011 0.086 Uiso 1 calc . . R
 C5 C -0.11772(11) 0.08061(17) 0.55827(17) 0.0625(5) Uani 1 d . . .
 H5 H -0.1610 0.0371 0.5828 0.075 Uiso 1 calc . . R
 C6 C -0.02232(10) 0.09097(14) 0.63099(13) 0.0449(3) Uani 1 d . . .
 C7 C 0.02857(10) 0.04554(14) 0.74690(13) 0.0452(4) Uani 1 d . . .
 C8 C 0.12149(9) 0.08137(12) 0.77527(11) 0.0351(3) Uani 1 d . . .
 C9 C -0.01779(13) -0.0279(2) 0.81705(18) 0.0760(6) Uani 1 d . . .
 H9A H -0.0063 -0.1076 0.8051 0.114 Uiso 1 calc . . GR
 H9B H -0.0855 -0.0136 0.7909 0.114 Uiso 1 calc . . GR
 H9C H 0.0087 -0.0095 0.9001 0.114 Uiso 1 calc . . GR
 C10 C 0.20803(9) 0.05693(12) 0.87450(11) 0.0349(3) Uani 1 d . . .
 C11 C 0.21037(11) -0.02868(13) 0.95862(13) 0.0460(4) Uani 1 d . . .
 H11 H 0.1552 -0.0706 0.9522 0.055 Uiso 1 calc . . R
 C12 C 0.29313(12) -0.05178(14) 1.05075(14) 0.0529(4) Uani 1 d . . .
 H12 H 0.2931 -0.1074 1.1072 0.063 Uiso 1 calc . . R
 C13 C 0.37589(11) 0.00782(14) 1.05895(13) 0.0510(4) Uani 1 d . . .
 H13 H 0.4322 -0.0087 1.1200 0.061 Uiso 1 calc . . R
 C14 C 0.37514(10) 0.09207(13) 0.97654(12) 0.0433(3) Uani 1 d . . .
 H14 H 0.4313 0.1318 0.9827 0.052 Uiso 1 calc . . R
 C15 C 0.29202(9) 0.11876(11) 0.88457(11) 0.0341(3) Uani 1 d . . .
 C16 C 0.28897(9) 0.22109(12) 0.80371(11) 0.0346(3) Uani 1 d . . .
 C17 C 0.21120(9) 0.21211(12) 0.68342(12) 0.0377(3) Uani 1 d . . .
 C18 C 0.26140(11) 0.32878(13) 0.86283(13) 0.0443(3) Uani 1 d . . .
 H18A H 0.3101 0.3435 0.9375 0.066 Uiso 1 calc . . GR
 H18B H 0.2014 0.3155 0.8763 0.066 Uiso 1 calc . . GR
 H18C H 0.2556 0.3941 0.8113 0.066 Uiso 1 calc . . GR
 C19 C 0.41930(9) 0.15648(12) 0.71661(12) 0.0367(3) Uani 1 d . . .
 C20 C 0.50900(9) 0.18103(12) 0.68680(11) 0.0357(3) Uani 1 d . . .
 C21 C 0.54064(11) 0.09936(13) 0.62266(14) 0.0462(3) Uani 1 d . . .
 H21 H 0.5079 0.0301 0.6023 0.055 Uiso 1 calc . . R
 C22 C 0.62081(12) 0.12029(15) 0.58867(16) 0.0566(4) Uani 1 d . . .
 H22 H 0.6416 0.0654 0.5453 0.068 Uiso 1 calc . . R
 C23 C 0.66980(11) 0.22308(15) 0.61938(16) 0.0553(4) Uani 1 d . . .
 H23 H 0.7237 0.2371 0.5968 0.066 Uiso 1 calc . . R
 C24 C 0.63919(10) 0.30455(14) 0.68308(14) 0.0490(4) Uani 1 d . . .
 H24 H 0.6720 0.3738 0.7030 0.059 Uiso 1 calc . . R
 C25 C 0.55948(10) 0.28353(13) 0.71766(13) 0.0411(3) Uani 1 d . . .
 H25 H 0.5395 0.3384 0.7619 0.049 Uiso 1 calc . . R
 C26 C 0.38355(9) 0.24793(12) 0.78170(13) 0.0390(3) Uani 1 d . . .
 H26A H 0.3759 0.3189 0.7365 0.047 Uiso 1 calc . . R
 H26B H 0.4322 0.2613 0.8580 0.047 Uiso 1 calc . . R


_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
 O1 C19 1.2171(17) . ?
 O2 C17 1.2101(17) . ?
 N1 C1 1.4045(17) . ?
 N1 C8 1.4146(17) . ?
 N1 C17 1.3819(17) . ?
 C1 C2 1.387(2) . ?
 C1 C6 1.395(2) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.385(2) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.388(3) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.370(3) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.400(2) . ?
 C6 C7 1.439(2) . ?
 C7 C8 1.3664(19) . ?
 C7 C9 1.499(2) . ?
 C8 C10 1.4601(18) . ?
 C9 H9A 0.9600 . ?
 C9 H9B 0.9600 . ?
 C9 H9C 0.9600 . ?
 C10 C11 1.4006(19) . ?
 C10 C15 1.4028(19) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.379(2) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.378(2) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.380(2) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.3898(19) . ?
 C15 C16 1.5184(18) . ?
 C16 C17 1.5208(18) . ?
 C16 C18 1.5500(19) . ?
 C16 C26 1.5297(17) . ?
 C18 H18A 0.9600 . ?
 C18 H18B 0.9600 . ?
 C18 H18C 0.9600 . ?
 C19 C20 1.5005(18) . ?
 C19 C26 1.5035(19) . ?
 C20 C21 1.386(2) . ?
 C20 C25 1.390(2) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.386(2) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.383(2) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.373(2) . ?
 C24 H24 0.9300 . ?
 C24 C25 1.384(2) . ?
 C25 H25 0.9300 . ?
 C26 H26A 0.9700 . ?
 C26 H26B 0.9700 . ?

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
 C1 N1 C8 108.89(11) . . ?
 C17 N1 C1 125.81(11) . . ?
 C17 N1 C8 125.07(11) . . ?
 C2 C1 N1 130.92(14) . . ?
 C2 C1 C6 122.46(14) . . ?
 C6 C1 N1 106.60(12) . . ?
 C1 C2 H2 121.6 . . ?
 C3 C2 C1 116.72(17) . . ?
 C3 C2 H2 121.6 . . ?
 C2 C3 H3 119.1 . . ?
 C2 C3 C4 121.83(17) . . ?
 C4 C3 H3 119.1 . . ?
 C3 C4 H4 119.5 . . ?
 C5 C4 C3 120.94(16) . . ?
 C5 C4 H4 119.5 . . ?
 C4 C5 H5 120.6 . . ?
 C4 C5 C6 118.83(17) . . ?
 C6 C5 H5 120.6 . . ?
 C1 C6 C5 119.21(15) . . ?
 C1 C6 C7 108.64(12) . . ?
 C5 C6 C7 132.15(15) . . ?
 C6 C7 C9 123.16(13) . . ?
 C8 C7 C6 107.41(13) . . ?
 C8 C7 C9 129.43(14) . . ?
 N1 C8 C10 118.00(11) . . ?
 C7 C8 N1 108.43(12) . . ?
 C7 C8 C10 133.46(13) . . ?
 C7 C9 H9A 109.5 . . ?
 C7 C9 H9B 109.5 . . ?
 C7 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C11 C10 C8 121.86(12) . . ?
 C11 C10 C15 118.85(13) . . ?
 C15 C10 C8 119.27(12) . . ?
 C10 C11 H11 119.5 . . ?
 C12 C11 C10 121.08(14) . . ?
 C12 C11 H11 119.5 . . ?
 C11 C12 H12 120.1 . . ?
 C13 C12 C11 119.80(14) . . ?
 C13 C12 H12 120.1 . . ?
 C12 C13 H13 120.0 . . ?
 C12 C13 C14 119.95(14) . . ?
 C14 C13 H13 120.0 . . ?
 C13 C14 H14 119.4 . . ?
 C13 C14 C15 121.26(14) . . ?
 C15 C14 H14 119.4 . . ?
 C10 C15 C16 119.97(12) . . ?
 C14 C15 C10 119.03(13) . . ?
 C14 C15 C16 120.70(12) . . ?
 C15 C16 C17 113.53(11) . . ?
 C15 C16 C18 107.82(11) . . ?
 C15 C16 C26 114.96(11) . . ?
 C17 C16 C18 104.55(11) . . ?
 C17 C16 C26 108.01(11) . . ?
 C26 C16 C18 107.29(11) . . ?
 O2 C17 N1 121.36(13) . . ?
 O2 C17 C16 122.19(13) . . ?
 N1 C17 C16 116.09(11) . . ?
 C16 C18 H18A 109.5 . . ?
 C16 C18 H18B 109.5 . . ?
 C16 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 O1 C19 C20 120.68(13) . . ?
 O1 C19 C26 121.54(12) . . ?
 C20 C19 C26 117.76(12) . . ?
 C21 C20 C19 118.34(13) . . ?
 C21 C20 C25 119.03(13) . . ?
 C25 C20 C19 122.59(13) . . ?
 C20 C21 H21 119.8 . . ?
 C22 C21 C20 120.42(15) . . ?
 C22 C21 H21 119.8 . . ?
 C21 C22 H22 120.1 . . ?
 C23 C22 C21 119.79(15) . . ?
 C23 C22 H22 120.1 . . ?
 C22 C23 H23 119.9 . . ?
 C24 C23 C22 120.29(14) . . ?
 C24 C23 H23 119.9 . . ?
 C23 C24 H24 120.0 . . ?
 C23 C24 C25 119.99(15) . . ?
 C25 C24 H24 120.0 . . ?
 C20 C25 H25 119.8 . . ?
 C24 C25 C20 120.46(14) . . ?
 C24 C25 H25 119.8 . . ?
 C16 C26 H26A 108.4 . . ?
 C16 C26 H26B 108.4 . . ?
 C19 C26 C16 115.54(11) . . ?
 C19 C26 H26A 108.4 . . ?
 C19 C26 H26B 108.4 . . ?
 H26A C26 H26B 107.5 . . ?

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
 O1 C19 C20 C21 1.1(2) . . . . ?
 O1 C19 C20 C25 179.04(13) . . . . ?
 O1 C19 C26 C16 -1.8(2) . . . . ?
 N1 C1 C2 C3 -179.34(16) . . . . ?
 N1 C1 C6 C5 179.98(14) . . . . ?
 N1 C1 C6 C7 -0.03(17) . . . . ?
 N1 C8 C10 C11 -166.94(13) . . . . ?
 N1 C8 C10 C15 11.44(19) . . . . ?
 C1 N1 C8 C7 -1.60(16) . . . . ?
 C1 N1 C8 C10 175.16(12) . . . . ?
 C1 N1 C17 O2 -10.8(2) . . . . ?
 C1 N1 C17 C16 162.42(12) . . . . ?
 C1 C2 C3 C4 0.0(3) . . . . ?
 C1 C6 C7 C8 -0.95(18) . . . . ?
 C1 C6 C7 C9 179.45(16) . . . . ?
 C2 C1 C6 C5 1.3(2) . . . . ?
 C2 C1 C6 C7 -178.71(15) . . . . ?
 C2 C3 C4 C5 0.7(3) . . . . ?
 C3 C4 C5 C6 -0.4(3) . . . . ?
 C4 C5 C6 C1 -0.6(3) . . . . ?
 C4 C5 C6 C7 179.45(18) . . . . ?
 C5 C6 C7 C8 179.03(18) . . . . ?
 C5 C6 C7 C9 -0.6(3) . . . . ?
 C6 C1 C2 C3 -1.0(2) . . . . ?
 C6 C7 C8 N1 1.55(17) . . . . ?
 C6 C7 C8 C10 -174.51(15) . . . . ?
 C7 C8 C10 C11 8.8(2) . . . . ?
 C7 C8 C10 C15 -172.80(15) . . . . ?
 C8 N1 C1 C2 179.51(16) . . . . ?
 C8 N1 C1 C6 0.98(16) . . . . ?
 C8 N1 C17 O2 175.21(14) . . . . ?
 C8 N1 C17 C16 -11.54(19) . . . . ?
 C8 C10 C11 C12 179.00(14) . . . . ?
 C8 C10 C15 C14 -177.53(12) . . . . ?
 C8 C10 C15 C16 8.69(19) . . . . ?
 C9 C7 C8 N1 -178.89(17) . . . . ?
 C9 C7 C8 C10 5.1(3) . . . . ?
 C10 C11 C12 C13 -1.8(2) . . . . ?
 C10 C15 C16 C17 -28.99(17) . . . . ?
 C10 C15 C16 C18 86.34(14) . . . . ?
 C10 C15 C16 C26 -154.06(12) . . . . ?
 C11 C10 C15 C14 0.9(2) . . . . ?
 C11 C10 C15 C16 -172.88(12) . . . . ?
 C11 C12 C13 C14 1.4(2) . . . . ?
 C12 C13 C14 C15 0.1(2) . . . . ?
 C13 C14 C15 C10 -1.3(2) . . . . ?
 C13 C14 C15 C16 172.46(13) . . . . ?
 C14 C15 C16 C17 157.34(12) . . . . ?
 C14 C15 C16 C18 -87.34(15) . . . . ?
 C14 C15 C16 C26 32.26(17) . . . . ?
 C15 C10 C11 C12 0.6(2) . . . . ?
 C15 C16 C17 O2 -157.05(14) . . . . ?
 C15 C16 C17 N1 29.76(17) . . . . ?
 C15 C16 C26 C19 64.19(16) . . . . ?
 C17 N1 C1 C2 4.7(2) . . . . ?
 C17 N1 C1 C6 -173.80(13) . . . . ?
 C17 N1 C8 C7 173.22(13) . . . . ?
 C17 N1 C8 C10 -10.0(2) . . . . ?
 C17 C16 C26 C19 -63.72(15) . . . . ?
 C18 C16 C17 O2 85.70(16) . . . . ?
 C18 C16 C17 N1 -87.49(14) . . . . ?
 C18 C16 C26 C19 -175.92(11) . . . . ?
 C19 C20 C21 C22 177.24(14) . . . . ?
 C19 C20 C25 C24 -176.80(13) . . . . ?
 C20 C19 C26 C16 176.76(11) . . . . ?
 C20 C21 C22 C23 0.3(3) . . . . ?
 C21 C20 C25 C24 1.1(2) . . . . ?
 C21 C22 C23 C24 -0.2(3) . . . . ?
 C22 C23 C24 C25 0.5(3) . . . . ?
 C23 C24 C25 C20 -1.0(2) . . . . ?
 C25 C20 C21 C22 -0.7(2) . . . . ?
 C26 C16 C17 O2 -28.32(19) . . . . ?
 C26 C16 C17 N1 158.49(12) . . . . ?
 C26 C19 C20 C21 -177.47(12) . . . . ?
 C26 C19 C20 C25 0.43(19) . . . . ?


_olex2_date_sample_data_collection 2018-07-20
_olex2_submission_special_instructions 'No special instructions were received'
