data_hxw-2
_audit_creation_date               2019-06-21
_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. (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 H20 F N3 O2 S'
_chemical_formula_sum              'C26 H20 F N3 O2 S'
_chemical_formula_weight           457.51
_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'
 'F' 'F' 0.0171 0.0103 '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             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     19.9143(10)
_cell_length_b                     10.6749(6)
_cell_length_c                     20.1936(9)
_cell_angle_alpha                  90
_cell_angle_beta                   92.357(4)
_cell_angle_gamma                  90
_cell_volume                       4289.2(4)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      3852
_cell_measurement_temperature      100.01(10)
_cell_measurement_theta_max        27.4220
_cell_measurement_theta_min        2.9230
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.190
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.76847
_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      1.417
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1904
_exptl_crystal_size_max            0.14
_exptl_crystal_size_mid            0.11
_exptl_crystal_size_min            0.09
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0363
_diffrn_reflns_av_unetI/netI       0.0465
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         20
_diffrn_reflns_limit_h_min         -23
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         23
_diffrn_reflns_limit_l_min         -23
_diffrn_reflns_number              10395
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  1.000
_diffrn_reflns_theta_full          24.997
_diffrn_reflns_theta_max           24.997
_diffrn_reflns_theta_min           2.047
_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  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -17.00  29.00   1.00    2.50    --  -11.59 -99.00 120.00   46
  2  ω     18.00  56.00   1.00    2.50    --   11.74-108.00  11.00   38
  3  ω    -60.00  76.00   1.00    2.50    --   11.74   0.00-150.00  136
;
_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        -0.0303070500
_diffrn_orient_matrix_UB_12        0.0328346500
_diffrn_orient_matrix_UB_13        -0.0075803000
_diffrn_orient_matrix_UB_21        0.0185684000
_diffrn_orient_matrix_UB_22        0.0557454000
_diffrn_orient_matrix_UB_23        -0.0047469000
_diffrn_orient_matrix_UB_31        0.0026596500
_diffrn_orient_matrix_UB_32        -0.0151148500
_diffrn_orient_matrix_UB_33        -0.0340051000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3081
_reflns_number_total               3776
_reflns_odcompleteness_completeness  99.96
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_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      'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max           1.040
_refine_diff_density_min           -0.408
_refine_diff_density_rms           0.062
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.039
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       303
_refine_ls_number_reflns           3776
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0614
_refine_ls_R_factor_gt             0.0489
_refine_ls_restrained_S_all        1.039
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0514P)²+7.8496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1163
_refine_ls_wR_factor_ref           0.1254
_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:
 C13(H13), C8(H8), C5(H5), C19(H19), C10(H10), C15(H15), C21(H21), C12(H12),
 C6(H6), C7(H7), C16(H16), C17(H17), C25(H25), C24(H24), C11(H11), C18(H18)
2.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       direct
_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 0.39453(3) 0.16661(6) 0.58038(3) 0.02133(18) Uani 1 1 d . . . . .
 F1 F 0.20799(8) 0.44662(18) 0.65523(8) 0.0447(5) Uani 1 1 d . . . . .
 O2 O 0.35891(9) 0.05531(17) 0.59768(9) 0.0290(4) Uani 1 1 d . . . . .
 O1 O 0.43841(9) 0.16578(19) 0.52596(8) 0.0292(5) Uani 1 1 d . . . . .
 N1 N 0.55582(10) 0.20623(19) 0.66950(9) 0.0192(5) Uani 1 1 d . . . . .
 N2 N 0.58253(10) 0.0437(2) 0.74282(9) 0.0194(5) Uani 1 1 d . . . . .
 N3 N 0.43606(10) 0.2078(2) 0.64824(10) 0.0187(5) Uani 1 1 d . . . . .
 C4 C 0.49759(11) 0.2723(2) 0.65041(11) 0.0168(5) Uani 1 1 d . . . . .
 C1 C 0.51212(12) 0.3958(2) 0.64136(11) 0.0175(5) Uani 1 1 d . . . . .
 C2 C 0.58342(12) 0.4090(2) 0.65534(10) 0.0181(5) Uani 1 1 d . . . . .
 C14 C 0.46466(12) 0.4994(2) 0.62667(11) 0.0197(5) Uani 1 1 d . . . . .
 C9 C 0.56145(11) 0.0752(2) 0.68130(12) 0.0189(5) Uani 1 1 d . . . . .
 C13 C 0.58904(12) -0.0780(2) 0.75668(12) 0.0225(6) Uani 1 1 d . . . . .
 H13 H 0.604150 -0.101416 0.799087 0.027 Uiso 1 1 calc R . . . .
 C3 C 0.60855(12) 0.2910(2) 0.67432(11) 0.0192(5) Uani 1 1 d . . . . .
 C20 C 0.33525(12) 0.2870(2) 0.56631(11) 0.0199(5) Uani 1 1 d . . . . .
 C8 C 0.62763(13) 0.5113(3) 0.65636(11) 0.0222(6) Uani 1 1 d . . . . .
 H8 H 0.612425 0.590388 0.643640 0.027 Uiso 1 1 calc R . . . .
 C23 C 0.24331(12) 0.4836(2) 0.54805(11) 0.0220(6) Uani 1 1 d . . . . .
 C5 C 0.67585(12) 0.2718(3) 0.69449(12) 0.0233(6) Uani 1 1 d . . . . .
 H5 H 0.691615 0.192841 0.706903 0.028 Uiso 1 1 calc R . . . .
 C19 C 0.47447(13) 0.5822(2) 0.57456(11) 0.0237(6) Uani 1 1 d . . . . .
 H19 H 0.510925 0.571074 0.547830 0.028 Uiso 1 1 calc R . . . .
 C10 C 0.54623(12) -0.0112(2) 0.63197(12) 0.0228(6) Uani 1 1 d . . . . .
 H10 H 0.531919 0.014383 0.589687 0.027 Uiso 1 1 calc R . . . .
 C15 C 0.40940(13) 0.5187(2) 0.66606(12) 0.0223(6) Uani 1 1 d . . . . .
 H15 H 0.401634 0.464081 0.700804 0.027 Uiso 1 1 calc R . . . .
 C22 C 0.24733(13) 0.4119(3) 0.60495(12) 0.0250(6) Uani 1 1 d . . . . .
 C21 C 0.29097(12) 0.3145(3) 0.61584(12) 0.0232(6) Uani 1 1 d . . . . .
 H21 H 0.291073 0.268317 0.654900 0.028 Uiso 1 1 calc R . . . .
 C12 C 0.57429(13) -0.1705(3) 0.71075(13) 0.0266(6) Uani 1 1 d . . . . .
 H12 H 0.578682 -0.254548 0.722258 0.032 Uiso 1 1 calc R . . . .
 C6 C 0.71767(13) 0.3741(3) 0.69520(12) 0.0264(6) Uani 1 1 d . . . . .
 H6 H 0.762656 0.364258 0.708392 0.032 Uiso 1 1 calc R . . . .
 C7 C 0.69389(13) 0.4931(3) 0.67643(12) 0.0269(6) Uani 1 1 d . . . . .
 H7 H 0.723297 0.560806 0.677546 0.032 Uiso 1 1 calc R . . . .
 C16 C 0.36619(13) 0.6183(3) 0.65377(12) 0.0262(6) Uani 1 1 d . . . . .
 H16 H 0.329851 0.630402 0.680541 0.031 Uiso 1 1 calc R . . . .
 C17 C 0.37659(14) 0.7004(3) 0.60186(13) 0.0293(6) Uani 1 1 d . . . . .
 H17 H 0.347599 0.767512 0.593973 0.035 Uiso 1 1 calc R . . . .
 C25 C 0.33357(13) 0.3543(3) 0.50827(12) 0.0279(6) Uani 1 1 d . . . . .
 H25 H 0.363020 0.335093 0.475168 0.033 Uiso 1 1 calc R . . . .
 C24 C 0.28767(13) 0.4509(3) 0.49944(12) 0.0298(7) Uani 1 1 d . . . . .
 H24 H 0.286439 0.495272 0.459793 0.036 Uiso 1 1 calc R . . . .
 C11 C 0.55292(13) -0.1365(3) 0.64741(13) 0.0277(6) Uani 1 1 d . . . . .
 H11 H 0.543139 -0.197391 0.615509 0.033 Uiso 1 1 calc R . . . .
 C26 C 0.19634(14) 0.5924(3) 0.54007(13) 0.0311(7) Uani 1 1 d . . . . .
 H26A H 0.150939 0.564184 0.544200 0.047 Uiso 1 1 calc GR . . . .
 H26B H 0.200973 0.629385 0.497155 0.047 Uiso 1 1 calc GR . . . .
 H26C H 0.206971 0.653619 0.573738 0.047 Uiso 1 1 calc GR . . . .
 C18 C 0.43035(14) 0.6813(3) 0.56207(13) 0.0293(6) Uani 1 1 d . . . . .
 H18 H 0.437141 0.735022 0.526706 0.035 Uiso 1 1 calc R . . . .
 H3 H 0.4267(15) 0.156(3) 0.6813(15) 0.044(9) Uiso 1 1 d . . . . .


_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 O2 1.4344(19) . ?
 S1 O1 1.4320(18) . ?
 S1 N3 1.631(2) . ?
 S1 C20 1.760(3) . ?
 F1 C22 1.359(3) . ?
 N1 C4 1.398(3) . ?
 N1 C9 1.423(3) . ?
 N1 C3 1.387(3) . ?
 N2 C9 1.338(3) . ?
 N2 C13 1.335(3) . ?
 N3 C4 1.405(3) . ?
 N3 H3 0.89(3) . ?
 C4 C1 1.364(3) . ?
 C1 C2 1.443(3) . ?
 C1 C14 1.477(3) . ?
 C2 C3 1.403(4) . ?
 C2 C8 1.402(3) . ?
 C14 C19 1.394(3) . ?
 C14 C15 1.399(3) . ?
 C9 C10 1.382(3) . ?
 C13 H13 0.9300 . ?
 C13 C12 1.378(4) . ?
 C3 C5 1.400(3) . ?
 C20 C21 1.392(3) . ?
 C20 C25 1.374(3) . ?
 C8 H8 0.9300 . ?
 C8 C7 1.378(4) . ?
 C23 C22 1.380(4) . ?
 C23 C24 1.392(3) . ?
 C23 C26 1.496(4) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.373(4) . ?
 C19 H19 0.9300 . ?
 C19 C18 1.392(4) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.379(4) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.384(4) . ?
 C22 C21 1.367(4) . ?
 C21 H21 0.9300 . ?
 C12 H12 0.9300 . ?
 C12 C11 1.380(4) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.403(4) . ?
 C7 H7 0.9300 . ?
 C16 H16 0.9300 . ?
 C16 C17 1.388(4) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.380(4) . ?
 C25 H25 0.9300 . ?
 C25 C24 1.384(4) . ?
 C24 H24 0.9300 . ?
 C11 H11 0.9300 . ?
 C26 H26A 0.9600 . ?
 C26 H26B 0.9600 . ?
 C26 H26C 0.9600 . ?
 C18 H18 0.9300 . ?

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 S1 N3 104.90(11) . . ?
 O2 S1 C20 108.00(11) . . ?
 O1 S1 O2 120.35(12) . . ?
 O1 S1 N3 110.01(11) . . ?
 O1 S1 C20 107.87(11) . . ?
 N3 S1 C20 104.62(11) . . ?
 C4 N1 C9 126.9(2) . . ?
 C3 N1 C4 107.9(2) . . ?
 C3 N1 C9 125.2(2) . . ?
 C13 N2 C9 117.6(2) . . ?
 S1 N3 H3 110(2) . . ?
 C4 N3 S1 124.72(16) . . ?
 C4 N3 H3 119(2) . . ?
 N1 C4 N3 118.3(2) . . ?
 C1 C4 N1 110.3(2) . . ?
 C1 C4 N3 131.2(2) . . ?
 C4 C1 C2 106.3(2) . . ?
 C4 C1 C14 127.8(2) . . ?
 C2 C1 C14 125.6(2) . . ?
 C3 C2 C1 107.6(2) . . ?
 C8 C2 C1 133.7(2) . . ?
 C8 C2 C3 118.6(2) . . ?
 C19 C14 C1 121.2(2) . . ?
 C19 C14 C15 118.3(2) . . ?
 C15 C14 C1 120.5(2) . . ?
 N2 C9 N1 114.9(2) . . ?
 N2 C9 C10 123.6(2) . . ?
 C10 C9 N1 121.5(2) . . ?
 N2 C13 H13 118.6 . . ?
 N2 C13 C12 122.7(2) . . ?
 C12 C13 H13 118.6 . . ?
 N1 C3 C2 107.8(2) . . ?
 N1 C3 C5 129.6(2) . . ?
 C5 C3 C2 122.5(2) . . ?
 C21 C20 S1 118.58(18) . . ?
 C25 C20 S1 120.80(19) . . ?
 C25 C20 C21 120.6(2) . . ?
 C2 C8 H8 120.4 . . ?
 C7 C8 C2 119.2(2) . . ?
 C7 C8 H8 120.4 . . ?
 C22 C23 C24 115.5(2) . . ?
 C22 C23 C26 122.3(2) . . ?
 C24 C23 C26 122.1(2) . . ?
 C3 C5 H5 121.3 . . ?
 C6 C5 C3 117.3(3) . . ?
 C6 C5 H5 121.3 . . ?
 C14 C19 H19 119.6 . . ?
 C18 C19 C14 120.8(2) . . ?
 C18 C19 H19 119.6 . . ?
 C9 C10 H10 121.0 . . ?
 C11 C10 C9 117.9(2) . . ?
 C11 C10 H10 121.0 . . ?
 C14 C15 H15 119.7 . . ?
 C16 C15 C14 120.6(2) . . ?
 C16 C15 H15 119.7 . . ?
 F1 C22 C23 117.1(2) . . ?
 F1 C22 C21 118.0(2) . . ?
 C21 C22 C23 124.8(2) . . ?
 C20 C21 H21 121.2 . . ?
 C22 C21 C20 117.5(2) . . ?
 C22 C21 H21 121.2 . . ?
 C13 C12 H12 120.5 . . ?
 C13 C12 C11 119.0(3) . . ?
 C11 C12 H12 120.5 . . ?
 C5 C6 H6 119.3 . . ?
 C5 C6 C7 121.3(2) . . ?
 C7 C6 H6 119.3 . . ?
 C8 C7 C6 121.0(2) . . ?
 C8 C7 H7 119.5 . . ?
 C6 C7 H7 119.5 . . ?
 C15 C16 H16 119.7 . . ?
 C15 C16 C17 120.6(2) . . ?
 C17 C16 H16 119.7 . . ?
 C16 C17 H17 120.3 . . ?
 C18 C17 C16 119.4(3) . . ?
 C18 C17 H17 120.3 . . ?
 C20 C25 H25 120.3 . . ?
 C20 C25 C24 119.5(2) . . ?
 C24 C25 H25 120.3 . . ?
 C23 C24 H24 119.0 . . ?
 C25 C24 C23 122.1(2) . . ?
 C25 C24 H24 119.0 . . ?
 C10 C11 C12 119.2(2) . . ?
 C10 C11 H11 120.4 . . ?
 C12 C11 H11 120.4 . . ?
 C23 C26 H26A 109.5 . . ?
 C23 C26 H26B 109.5 . . ?
 C23 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C19 C18 H18 119.8 . . ?
 C17 C18 C19 120.4(2) . . ?
 C17 C18 H18 119.8 . . ?


_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  1.298
_oxdiff_exptl_absorpt_empirical_full_min  0.484
