data_dlh-5-109
_audit_creation_date               2019-02-18
_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           'C28 H27 O2 P'
_chemical_formula_sum              'C28 H27 O2 P'
_chemical_formula_weight           426.46
_chemical_absolute_configuration   ?
_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'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.2955 0.4335 '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             4
_space_group_name_H-M_alt          'P 1 21 1'
_space_group_name_Hall             'P 2yb'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_length_a                     9.27489(12)
_cell_length_b                     7.39505(10)
_cell_length_c                     16.7947(2)
_cell_angle_alpha                  90
_cell_angle_beta                   94.7237(12)
_cell_angle_gamma                  90
_cell_volume                       1148.00(3)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      6445
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        73.5140
_cell_measurement_theta_min        2.5840
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      1.223
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.76344
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.234
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               452
_exptl_crystal_size_max            0.13
_exptl_crystal_size_mid            0.11
_exptl_crystal_size_min            0.08
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0235
_diffrn_reflns_av_unetI/netI       0.0292
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.978
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         5
_diffrn_reflns_limit_k_min         -9
_diffrn_reflns_limit_l_max         17
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              7337
_diffrn_reflns_point_group_measured_fraction_full  0.831
_diffrn_reflns_point_group_measured_fraction_max  0.800
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           73.634
_diffrn_reflns_theta_min           2.640
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.01(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   5.2684
_diffrn_detector_type              AtlasS2
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.978
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     47.00  78.00   1.00    1.00    --   41.11 -99.00-180.00   31
  2  ω     26.00 100.00   1.00    1.00    --  106.95 -95.00 -60.00   74
  3  ω    107.00 135.00   1.00    1.00    --  106.95 -61.00 -60.00   28
  4  ω     88.00 119.00   1.00    1.00    --  106.95 -45.00-150.00   31
  5  ω     84.00 177.00   1.00    1.00    --  106.95  30.00 -90.00   93
  6  ω     53.00  78.00   1.00    1.00    --  106.95 -61.00 -60.00   25
  7  ω     34.00 123.00   1.00    1.00    --  106.95 -30.00  90.00   89
  8  ω    120.00 177.00   1.00    1.00    --  106.95 125.00 150.00   57
  9  ω   -104.00 -23.00   1.00    1.00    --  -41.11 -38.00  30.00   81
 10  ω   -110.00 -17.00   1.00    1.00    --  -41.11 -38.00 -60.00   93
 11  ω    -14.00  30.00   1.00    1.00    --  -41.23  57.00-180.00   44
 12  ω   -100.00 -71.00   1.00    1.00    --  -41.23-148.00 129.00   29
 13  ω    -60.00 -18.00   1.00    1.00    --  -41.23  57.00-180.00   42
 14  ω     42.00  91.00   1.00    1.00    --   41.23-125.00 -30.00   49
 15  ω    151.00 177.00   1.00    1.00    --  106.95  15.00  90.00   26
 16  ω     37.00 138.00   1.00    1.00    --  106.95 -77.00 120.00  101
 17  ω     81.00 134.00   1.00    1.00    --  106.95  30.00   0.00   53
 18  ω     54.00 129.00   1.00    1.00    --  106.95  15.00  90.00   75
 19  ω     76.00 119.00   1.00    1.00    --  106.95-125.00 120.00   43
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0614218000
_diffrn_orient_matrix_UB_12        -0.0195856000
_diffrn_orient_matrix_UB_13        0.0820426000
_diffrn_orient_matrix_UB_21        -0.1548663000
_diffrn_orient_matrix_UB_22        0.0016607000
_diffrn_orient_matrix_UB_23        -0.0409596000
_diffrn_orient_matrix_UB_31        0.0045721000
_diffrn_orient_matrix_UB_32        -0.2073835000
_diffrn_orient_matrix_UB_33        -0.0080275000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage           0.513
_reflns_Friedel_fraction_full      0.631
_reflns_Friedel_fraction_max       0.590
_reflns_number_gt                  3675
_reflns_number_total               3708
_reflns_odcompleteness_completeness  100.00
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.97
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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           0.221
_refine_diff_density_min           -0.388
_refine_diff_density_rms           0.047
_refine_ls_abs_structure_details
;
 Flack x determined using 1235 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.021(9)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.081
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       285
_refine_ls_number_reflns           3708
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0311
_refine_ls_R_factor_gt             0.0309
_refine_ls_restrained_S_all        1.080
_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)+(0.0529P)²+0.1764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0813
_refine_ls_wR_factor_ref           0.0815
_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, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C11(H11), C18(H18), C2(H2), C20(H20), C21(H21), C14(H14), C10(H10),
 C3(H3), C23(H23), C4(H4), C24(H24), C15(H15), C9(H9)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C25(H25A,H25B,
 H25C)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
 P1 P 0.66335(5) 0.62546(7) 0.25465(3) 0.01463(13) Uani 1 1 d . . . . .
 O1 O 0.49873(16) 0.0842(2) 0.24034(8) 0.0202(3) Uani 1 1 d . . . . .
 H1 H 0.521052 -0.014149 0.222475 0.030 Uiso 1 1 calc GR . . . .
 O2 O 0.60094(15) 0.7660(2) 0.19771(8) 0.0189(3) Uani 1 1 d . . . . .
 C17 C 0.8598(2) 0.1505(3) 0.20555(13) 0.0202(4) Uani 1 1 d . . . . .
 H17 H 0.886447 0.043940 0.232281 0.024 Uiso 1 1 calc R . . . .
 C11 C 0.4586(2) 0.1455(4) 0.09934(12) 0.0216(4) Uani 1 1 d . . . . .
 H11 H 0.492264 0.031585 0.086414 0.026 Uiso 1 1 calc R . . . .
 C6 C 0.4183(2) 0.4207(3) 0.28517(11) 0.0157(4) Uani 1 1 d . . . . .
 C19 C 0.8074(2) 0.7217(3) 0.32099(11) 0.0175(4) Uani 1 1 d . . . . .
 C7 C 0.4074(2) 0.3687(3) 0.19846(12) 0.0163(4) Uani 1 1 d . . . . .
 C18 C 0.7865(2) 0.2821(3) 0.24417(12) 0.0177(4) Uani 1 1 d . . . . .
 H18 H 0.764108 0.263801 0.296531 0.021 Uiso 1 1 calc R . . . .
 C2 C 0.5432(2) 0.5678(3) 0.40033(12) 0.0191(4) Uani 1 1 d . . . . .
 H2 H 0.618421 0.639676 0.422448 0.023 Uiso 1 1 calc R . . . .
 C20 C 0.7802(2) 0.8770(3) 0.36512(12) 0.0199(4) Uani 1 1 d . . . . .
 H20 H 0.688135 0.927835 0.360813 0.024 Uiso 1 1 calc R . . . .
 C13 C 0.7461(2) 0.4425(3) 0.20486(11) 0.0160(4) Uani 1 1 d . . . . .
 C1 C 0.5333(2) 0.5292(3) 0.31824(12) 0.0164(4) Uani 1 1 d . . . . .
 C21 C 0.8891(2) 0.9559(3) 0.41523(12) 0.0220(5) Uani 1 1 d . . . . .
 H21 H 0.868449 1.057326 0.445002 0.026 Uiso 1 1 calc R . . . .
 C14 C 0.7787(2) 0.4670(3) 0.12599(12) 0.0222(5) Uani 1 1 d . . . . .
 H14 H 0.751586 0.573115 0.099034 0.027 Uiso 1 1 calc R . . . .
 C8 C 0.3498(2) 0.4855(3) 0.13813(12) 0.0197(5) Uani 1 1 d . . . . .
 C12 C 0.4549(2) 0.1968(3) 0.17884(12) 0.0176(4) Uani 1 1 d . . . . .
 C16 C 0.8945(2) 0.1747(3) 0.12706(13) 0.0240(5) Uani 1 1 d . . . . .
 C27 C 0.2782(2) 0.6622(3) 0.15714(14) 0.0257(5) Uani 1 1 d . . . . .
 H27A H 0.175921 0.643614 0.158383 0.039 Uiso 1 1 calc GR . . . .
 H27B H 0.295310 0.749847 0.116830 0.039 Uiso 1 1 calc GR . . . .
 H27C H 0.317707 0.705256 0.208268 0.039 Uiso 1 1 calc GR . . . .
 C10 C 0.4115(2) 0.2661(4) 0.03971(12) 0.0248(5) Uani 1 1 d . . . . .
 H10 H 0.417959 0.235067 -0.013548 0.030 Uiso 1 1 calc R . . . .
 C3 C 0.4423(2) 0.5002(4) 0.44861(12) 0.0227(5) Uani 1 1 d . . . . .
 H3 H 0.449793 0.526336 0.502964 0.027 Uiso 1 1 calc R . . . .
 C22 C 1.0290(2) 0.8854(3) 0.42155(13) 0.0236(5) Uani 1 1 d . . . . .
 C23 C 1.0572(2) 0.7367(4) 0.37434(14) 0.0266(5) Uani 1 1 d . . . . .
 H23 H 1.151092 0.691945 0.375523 0.032 Uiso 1 1 calc R . . . .
 C5 C 0.3159(2) 0.3523(3) 0.33453(13) 0.0192(4) Uani 1 1 d . . . . .
 C4 C 0.3300(2) 0.3936(3) 0.41592(12) 0.0219(5) Uani 1 1 d . . . . .
 H4 H 0.262526 0.348533 0.448823 0.026 Uiso 1 1 calc R . . . .
 C24 C 0.9486(2) 0.6540(4) 0.32559(13) 0.0225(5) Uani 1 1 d . . . . .
 H24 H 0.969764 0.552890 0.295770 0.027 Uiso 1 1 calc R . . . .
 C26 C 0.1930(2) 0.2365(4) 0.30014(13) 0.0266(5) Uani 1 1 d . . . . .
 H26A H 0.152358 0.288623 0.250947 0.040 Uiso 1 1 calc GR . . . .
 H26B H 0.119916 0.229689 0.337340 0.040 Uiso 1 1 calc GR . . . .
 H26C H 0.228083 0.117200 0.290148 0.040 Uiso 1 1 calc GR . . . .
 C15 C 0.8514(3) 0.3336(4) 0.08801(13) 0.0266(5) Uani 1 1 d . . . . .
 H15 H 0.871810 0.350503 0.035232 0.032 Uiso 1 1 calc R . . . .
 C9 C 0.3551(2) 0.4324(4) 0.05861(12) 0.0236(5) Uani 1 1 d . . . . .
 H9 H 0.320140 0.509781 0.017838 0.028 Uiso 1 1 calc R . . . .
 C28 C 0.9803(3) 0.0327(5) 0.08646(16) 0.0384(7) Uani 1 1 d . . . . .
 H28A H 1.081699 0.050993 0.100365 0.058 Uiso 1 1 calc GR . . . .
 H28B H 0.960642 0.042271 0.029598 0.058 Uiso 1 1 calc GR . . . .
 H28C H 0.952885 -0.085326 0.103664 0.058 Uiso 1 1 calc GR . . . .
 C25 C 1.1473(3) 0.9642(4) 0.47795(15) 0.0332(6) Uani 1 1 d . . . . .
 H25A H 1.121395 1.084762 0.492389 0.050 Uiso 1 1 calc GR . . . .
 H25B H 1.236017 0.967235 0.452267 0.050 Uiso 1 1 calc GR . . . .
 H25C H 1.159992 0.890709 0.525143 0.050 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
 P1 O2 1.4961(15) . ?
 P1 C19 1.813(2) . ?
 P1 C13 1.796(2) . ?
 P1 C1 1.821(2) . ?
 O1 H1 0.8200 . ?
 O1 C12 1.362(3) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.379(3) . ?
 C17 C16 1.394(3) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.391(3) . ?
 C11 C10 1.385(3) . ?
 C6 C7 1.502(3) . ?
 C6 C1 1.411(3) . ?
 C6 C5 1.406(3) . ?
 C19 C20 1.401(3) . ?
 C19 C24 1.397(3) . ?
 C7 C8 1.403(3) . ?
 C7 C12 1.394(3) . ?
 C18 H18 0.9300 . ?
 C18 C13 1.394(3) . ?
 C2 H2 0.9300 . ?
 C2 C1 1.404(3) . ?
 C2 C3 1.381(3) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.389(3) . ?
 C13 C14 1.395(3) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.394(3) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.380(3) . ?
 C8 C27 1.512(3) . ?
 C8 C9 1.397(3) . ?
 C16 C15 1.389(4) . ?
 C16 C28 1.513(3) . ?
 C27 H27A 0.9600 . ?
 C27 H27B 0.9600 . ?
 C27 H27C 0.9600 . ?
 C10 H10 0.9300 . ?
 C10 C9 1.384(4) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.383(3) . ?
 C22 C23 1.393(3) . ?
 C22 C25 1.507(3) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.387(3) . ?
 C5 C4 1.396(3) . ?
 C5 C26 1.503(3) . ?
 C4 H4 0.9300 . ?
 C24 H24 0.9300 . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C15 H15 0.9300 . ?
 C9 H9 0.9300 . ?
 C28 H28A 0.9600 . ?
 C28 H28B 0.9600 . ?
 C28 H28C 0.9600 . ?
 C25 H25A 0.9600 . ?
 C25 H25B 0.9600 . ?
 C25 H25C 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
 O2 P1 C19 110.31(10) . . ?
 O2 P1 C13 112.54(9) . . ?
 O2 P1 C1 113.98(9) . . ?
 C19 P1 C1 106.46(9) . . ?
 C13 P1 C19 105.08(9) . . ?
 C13 P1 C1 107.91(10) . . ?
 C12 O1 H1 109.5 . . ?
 C18 C17 H17 119.5 . . ?
 C18 C17 C16 121.0(2) . . ?
 C16 C17 H17 119.5 . . ?
 C12 C11 H11 120.4 . . ?
 C10 C11 H11 120.4 . . ?
 C10 C11 C12 119.1(2) . . ?
 C1 C6 C7 121.07(17) . . ?
 C5 C6 C7 118.98(19) . . ?
 C5 C6 C1 119.88(18) . . ?
 C20 C19 P1 119.38(16) . . ?
 C24 C19 P1 122.21(17) . . ?
 C24 C19 C20 118.3(2) . . ?
 C8 C7 C6 122.3(2) . . ?
 C12 C7 C6 117.75(19) . . ?
 C12 C7 C8 119.99(18) . . ?
 C17 C18 H18 119.9 . . ?
 C17 C18 C13 120.11(19) . . ?
 C13 C18 H18 119.9 . . ?
 C1 C2 H2 119.7 . . ?
 C3 C2 H2 119.7 . . ?
 C3 C2 C1 120.7(2) . . ?
 C19 C20 H20 119.6 . . ?
 C21 C20 C19 120.7(2) . . ?
 C21 C20 H20 119.6 . . ?
 C18 C13 P1 121.96(14) . . ?
 C18 C13 C14 119.3(2) . . ?
 C14 C13 P1 118.60(17) . . ?
 C6 C1 P1 120.47(15) . . ?
 C2 C1 P1 120.24(17) . . ?
 C2 C1 C6 119.24(18) . . ?
 C20 C21 H21 119.5 . . ?
 C20 C21 C22 121.0(2) . . ?
 C22 C21 H21 119.5 . . ?
 C13 C14 H14 120.1 . . ?
 C15 C14 C13 119.9(2) . . ?
 C15 C14 H14 120.1 . . ?
 C7 C8 C27 121.83(19) . . ?
 C9 C8 C7 118.4(2) . . ?
 C9 C8 C27 119.7(2) . . ?
 O1 C12 C11 122.1(2) . . ?
 O1 C12 C7 117.29(17) . . ?
 C11 C12 C7 120.6(2) . . ?
 C17 C16 C28 120.5(2) . . ?
 C15 C16 C17 118.4(2) . . ?
 C15 C16 C28 121.1(2) . . ?
 C8 C27 H27A 109.5 . . ?
 C8 C27 H27B 109.5 . . ?
 C8 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C11 C10 H10 119.7 . . ?
 C9 C10 C11 120.6(2) . . ?
 C9 C10 H10 119.7 . . ?
 C2 C3 H3 120.1 . . ?
 C2 C3 C4 119.84(19) . . ?
 C4 C3 H3 120.1 . . ?
 C21 C22 C25 121.9(2) . . ?
 C23 C22 C21 118.0(2) . . ?
 C23 C22 C25 120.1(2) . . ?
 C22 C23 H23 119.3 . . ?
 C24 C23 C22 121.5(2) . . ?
 C24 C23 H23 119.3 . . ?
 C6 C5 C26 120.44(19) . . ?
 C4 C5 C6 119.0(2) . . ?
 C4 C5 C26 120.53(19) . . ?
 C3 C4 C5 121.34(19) . . ?
 C3 C4 H4 119.3 . . ?
 C5 C4 H4 119.3 . . ?
 C19 C24 H24 119.8 . . ?
 C23 C24 C19 120.4(2) . . ?
 C23 C24 H24 119.8 . . ?
 C5 C26 H26A 109.5 . . ?
 C5 C26 H26B 109.5 . . ?
 C5 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C14 C15 C16 121.3(2) . . ?
 C14 C15 H15 119.3 . . ?
 C16 C15 H15 119.3 . . ?
 C8 C9 H9 119.6 . . ?
 C10 C9 C8 120.9(2) . . ?
 C10 C9 H9 119.6 . . ?
 C16 C28 H28A 109.5 . . ?
 C16 C28 H28B 109.5 . . ?
 C16 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?
 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 . . ?


_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.380
_oxdiff_exptl_absorpt_empirical_full_min  0.562
