data_exp_579
_audit_creation_date              2017-05-24
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number      '2016/6'
_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. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          'C24 H22 N2 O2'
_chemical_formula_sum             'C24 H22 N2 O2'
_chemical_formula_weight          370.43
_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'

_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                    13.8659(4)
_cell_length_b                    9.3188(3)
_cell_length_c                    14.7114(5)
_cell_angle_alpha                 90
_cell_angle_beta                  99.781(3)
_cell_angle_gamma                 90
_cell_volume                      1873.28(10)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     5250
_cell_measurement_temperature     100.00(10)
_cell_measurement_theta_max       73.5030
_cell_measurement_theta_min       4.7310
_shelx_estimated_absorpt_T_max    0.924
_shelx_estimated_absorpt_T_min    0.889
_exptl_absorpt_coefficient_mu     0.667
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.82508
_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             colorless
_exptl_crystal_density_diffrn     1.313
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              784
_exptl_crystal_size_max           0.18
_exptl_crystal_size_mid           0.14
_exptl_crystal_size_min           0.12
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0212
_diffrn_reflns_av_unetI/netI      0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_h_min        -17
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_limit_l_min        -15
_diffrn_reflns_number             7326
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full         67.684
_diffrn_reflns_theta_max          73.610
_diffrn_reflns_theta_min          4.051
_diffrn_ambient_environment       N~2~
_diffrn_ambient_temperature       100.00(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 0.970
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -55.00  34.00   1.00    1.00    --  -40.46  37.00  90.00   89
  2  ω    -65.00  36.00   1.00    1.00    --  -40.46  37.00   0.00  101
  3  ω     11.00  37.00   1.00    1.00    --   40.46 -99.00 150.00   26
  4  ω     33.00  92.00   1.00    1.00    --  107.48 -94.00  30.00   59
  5  ω     61.00  95.00   1.00    1.00    --   40.46-125.00 -30.00   34
  6  ω    100.00 161.00   1.00    1.00    --  107.48  45.00 -30.00   61
  7  ω     93.00 177.00   1.00    1.00    --  107.48  77.00-180.00   84
  8  ω     65.00 137.00   1.00    1.00    --  107.48 178.00   0.00   72
  9  ω     65.00 151.00   1.00    1.00    --  107.48 178.00  90.00   86
 10  ω     81.00 170.00   1.00    1.00    --  107.48  45.00  90.00   89
;
_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       -0.0353312000
_diffrn_orient_matrix_UB_12       0.1562879000
_diffrn_orient_matrix_UB_13       0.0034498000
_diffrn_orient_matrix_UB_21       -0.0737539000
_diffrn_orient_matrix_UB_22       -0.0245624000
_diffrn_orient_matrix_UB_23       -0.0894785000
_diffrn_orient_matrix_UB_31       -0.0774958000
_diffrn_orient_matrix_UB_32       -0.0480774000
_diffrn_orient_matrix_UB_33       0.0573145000
_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          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 3414
_reflns_number_total              3681
_reflns_odcompleteness_completeness 99.89
_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          0.194
_refine_diff_density_min          -0.242
_refine_diff_density_rms          0.048
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.064
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      255
_refine_ls_number_reflns          3681
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0461
_refine_ls_R_factor_gt            0.0428
_refine_ls_restrained_S_all       1.064
_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)+(0.0542P)²+0.6648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1083
_refine_ls_wR_factor_ref          0.1104
_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.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C14(H14), C3(H3), C5(H5), C13(H13), C4(H4), C22(H22), C11(H11),
 C12(H12), C18(H18), C20(H20), C21(H21), C19(H19)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C23(H23A,H23B,H23C)
;
_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
 O2 O 0.62396(7) 0.84297(10) 0.44524(7) 0.0249(2) Uani 1 1 d . . . . .
 O1 O 0.50455(7) 0.42855(12) 0.37265(7) 0.0314(2) Uani 1 1 d . . . . .
 N1 N 0.67226(8) 0.41449(12) 0.38483(8) 0.0230(2) Uani 1 1 d . . . . .
 N2 N 0.48501(10) 0.82571(17) 0.33413(9) 0.0390(4) Uani 1 1 d . . . . .
 C1 C 0.54409(9) 0.66867(14) 0.23820(9) 0.0195(3) Uani 1 1 d . . . . .
 C15 C 0.71029(9) 0.64031(15) 0.34002(9) 0.0201(3) Uani 1 1 d . . . . .
 C10 C 0.74861(10) 0.50677(14) 0.36986(9) 0.0208(3) Uani 1 1 d . . . . .
 C6 C 0.47755(9) 0.77903(15) 0.24483(9) 0.0231(3) Uani 1 1 d . . . . .
 C2 C 0.55357(9) 0.61178(14) 0.15386(9) 0.0217(3) Uani 1 1 d . . . . .
 H2 H 0.599711 0.540788 0.149515 0.026 Uiso 1 1 calc R . . . .
 C9 C 0.58302(10) 0.48185(15) 0.36500(9) 0.0230(3) Uani 1 1 d . . . . .
 C8 C 0.60037(9) 0.63604(14) 0.33389(9) 0.0204(3) Uani 1 1 d . . . . .
 C14 C 0.77093(10) 0.74760(15) 0.31796(9) 0.0229(3) Uani 1 1 d . . . . .
 H14 H 0.745746 0.836780 0.297862 0.027 Uiso 1 1 calc R . . . .
 C3 C 0.49248(10) 0.66263(15) 0.07454(9) 0.0238(3) Uani 1 1 d . . . . .
 H3 H 0.497817 0.625402 0.016948 0.029 Uiso 1 1 calc R . . . .
 C17 C 0.73195(9) 0.26017(15) 0.52020(9) 0.0221(3) Uani 1 1 d . . . . .
 C5 C 0.41495(10) 0.82893(16) 0.16691(10) 0.0255(3) Uani 1 1 d . . . . .
 H5 H 0.368816 0.899865 0.171409 0.031 Uiso 1 1 calc R . . . .
 C13 C 0.87127(10) 0.71912(16) 0.32651(9) 0.0248(3) Uani 1 1 d . . . . .
 H13 H 0.913292 0.789894 0.311722 0.030 Uiso 1 1 calc R . . . .
 C4 C 0.42400(9) 0.76877(16) 0.08228(9) 0.0243(3) Uani 1 1 d . . . . .
 H4 H 0.383076 0.800476 0.029382 0.029 Uiso 1 1 calc R . . . .
 C22 C 0.70434(10) 0.35385(15) 0.58510(10) 0.0260(3) Uani 1 1 d . . . . .
 H22 H 0.658087 0.424887 0.566465 0.031 Uiso 1 1 calc R . . . .
 C11 C 0.84792(10) 0.47706(15) 0.37953(10) 0.0251(3) Uani 1 1 d . . . . .
 H11 H 0.873073 0.388147 0.400238 0.030 Uiso 1 1 calc R . . . .
 C12 C 0.90831(10) 0.58621(16) 0.35687(10) 0.0263(3) Uani 1 1 d . . . . .
 H12 H 0.975153 0.569410 0.362265 0.032 Uiso 1 1 calc R . . . .
 C7 C 0.55541(9) 0.74658(15) 0.39694(9) 0.0227(3) Uani 1 1 d . . . . .
 H7 H 0.522357 0.694378 0.440657 0.027 Uiso 1 1 calc R . . . .
 C16 C 0.68555(11) 0.26795(15) 0.41938(10) 0.0262(3) Uani 1 1 d . . . . .
 H16A H 0.726389 0.216229 0.383084 0.031 Uiso 1 1 calc R . . . .
 H16B H 0.622357 0.220611 0.411164 0.031 Uiso 1 1 calc R . . . .
 C18 C 0.80061(10) 0.15360(16) 0.54974(10) 0.0276(3) Uani 1 1 d . . . . .
 H18 H 0.819071 0.090189 0.506988 0.033 Uiso 1 1 calc R . . . .
 C24 C 0.43209(10) 0.94559(17) 0.36329(10) 0.0303(3) Uani 1 1 d . . . . .
 H24A H 0.455226 1.033000 0.339964 0.045 Uiso 1 1 calc GR . . . .
 H24B H 0.442269 0.949062 0.429451 0.045 Uiso 1 1 calc GR . . . .
 H24C H 0.363533 0.934553 0.339885 0.045 Uiso 1 1 calc GR . . . .
 C23 C 0.66970(11) 0.78331(18) 0.53117(10) 0.0307(3) Uani 1 1 d . . . . .
 H23A H 0.705558 0.698823 0.520020 0.046 Uiso 1 1 calc GR . . . .
 H23B H 0.620600 0.758487 0.567245 0.046 Uiso 1 1 calc GR . . . .
 H23C H 0.713724 0.852486 0.564030 0.046 Uiso 1 1 calc GR . . . .
 C20 C 0.81492(12) 0.23521(18) 0.70606(11) 0.0346(4) Uani 1 1 d . . . . .
 H20 H 0.843039 0.227683 0.767934 0.042 Uiso 1 1 calc R . . . .
 C21 C 0.74594(12) 0.34112(17) 0.67773(11) 0.0321(3) Uani 1 1 d . . . . .
 H21 H 0.727443 0.403841 0.720845 0.038 Uiso 1 1 calc R . . . .
 C19 C 0.84180(11) 0.14092(18) 0.64223(11) 0.0326(3) Uani 1 1 d . . . . .
 H19 H 0.887382 0.069143 0.661214 0.039 Uiso 1 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
 O2 C7 1.4092(16) . ?
 O2 C23 1.4272(17) . ?
 O1 C9 1.2186(17) . ?
 N1 C10 1.4100(17) . ?
 N1 C9 1.3739(17) . ?
 N1 C16 1.4578(18) . ?
 N2 C6 1.3709(18) . ?
 N2 C7 1.4297(18) . ?
 N2 C24 1.4413(18) . ?
 C1 C6 1.3960(18) . ?
 C1 C2 1.3760(19) . ?
 C1 C8 1.5199(17) . ?
 C15 C10 1.3944(18) . ?
 C15 C8 1.5119(17) . ?
 C15 C14 1.3801(19) . ?
 C10 C11 1.3880(18) . ?
 C6 C5 1.3949(18) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.4028(19) . ?
 C9 C8 1.5392(19) . ?
 C8 C7 1.5832(18) . ?
 C14 H14 0.9300 . ?
 C14 C13 1.4010(18) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.389(2) . ?
 C17 C22 1.3944(19) . ?
 C17 C16 1.5149(19) . ?
 C17 C18 1.3932(19) . ?
 C5 H5 0.9300 . ?
 C5 C4 1.390(2) . ?
 C13 H13 0.9300 . ?
 C13 C12 1.385(2) . ?
 C4 H4 0.9300 . ?
 C22 H22 0.9300 . ?
 C22 C21 1.392(2) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.393(2) . ?
 C12 H12 0.9300 . ?
 C7 H7 0.9800 . ?
 C16 H16A 0.9700 . ?
 C16 H16B 0.9700 . ?
 C18 H18 0.9300 . ?
 C18 C19 1.388(2) . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C23 H23A 0.9600 . ?
 C23 H23B 0.9600 . ?
 C23 H23C 0.9600 . ?
 C20 H20 0.9300 . ?
 C20 C21 1.388(2) . ?
 C20 C19 1.383(2) . ?
 C21 H21 0.9300 . ?
 C19 H19 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
 C7 O2 C23 111.01(11) . . ?
 C10 N1 C16 124.89(11) . . ?
 C9 N1 C10 111.17(11) . . ?
 C9 N1 C16 123.92(12) . . ?
 C6 N2 C7 112.81(12) . . ?
 C6 N2 C24 124.88(12) . . ?
 C7 N2 C24 122.25(12) . . ?
 C6 C1 C8 108.91(11) . . ?
 C2 C1 C6 120.83(12) . . ?
 C2 C1 C8 130.20(12) . . ?
 C10 C15 C8 108.76(11) . . ?
 C14 C15 C10 120.38(12) . . ?
 C14 C15 C8 130.79(12) . . ?
 C15 C10 N1 109.72(11) . . ?
 C11 C10 N1 128.35(12) . . ?
 C11 C10 C15 121.91(13) . . ?
 N2 C6 C1 110.95(12) . . ?
 N2 C6 C5 128.08(13) . . ?
 C5 C6 C1 120.97(13) . . ?
 C1 C2 H2 120.6 . . ?
 C1 C2 C3 118.90(13) . . ?
 C3 C2 H2 120.6 . . ?
 O1 C9 N1 125.47(13) . . ?
 O1 C9 C8 126.52(12) . . ?
 N1 C9 C8 108.00(11) . . ?
 C1 C8 C9 112.37(11) . . ?
 C1 C8 C7 102.78(10) . . ?
 C15 C8 C1 113.81(10) . . ?
 C15 C8 C9 102.34(10) . . ?
 C15 C8 C7 116.18(11) . . ?
 C9 C8 C7 109.64(10) . . ?
 C15 C14 H14 120.8 . . ?
 C15 C14 C13 118.50(13) . . ?
 C13 C14 H14 120.8 . . ?
 C2 C3 H3 120.1 . . ?
 C4 C3 C2 119.79(12) . . ?
 C4 C3 H3 120.1 . . ?
 C22 C17 C16 121.33(12) . . ?
 C18 C17 C22 119.03(13) . . ?
 C18 C17 C16 119.58(12) . . ?
 C6 C5 H5 121.2 . . ?
 C4 C5 C6 117.59(13) . . ?
 C4 C5 H5 121.2 . . ?
 C14 C13 H13 119.8 . . ?
 C12 C13 C14 120.43(13) . . ?
 C12 C13 H13 119.8 . . ?
 C3 C4 C5 121.83(13) . . ?
 C3 C4 H4 119.1 . . ?
 C5 C4 H4 119.1 . . ?
 C17 C22 H22 120.0 . . ?
 C21 C22 C17 120.05(14) . . ?
 C21 C22 H22 120.0 . . ?
 C10 C11 H11 121.4 . . ?
 C10 C11 C12 117.13(13) . . ?
 C12 C11 H11 121.4 . . ?
 C13 C12 C11 121.65(12) . . ?
 C13 C12 H12 119.2 . . ?
 C11 C12 H12 119.2 . . ?
 O2 C7 N2 108.97(12) . . ?
 O2 C7 C8 114.28(10) . . ?
 O2 C7 H7 109.6 . . ?
 N2 C7 C8 104.51(11) . . ?
 N2 C7 H7 109.6 . . ?
 C8 C7 H7 109.6 . . ?
 N1 C16 C17 113.19(11) . . ?
 N1 C16 H16A 108.9 . . ?
 N1 C16 H16B 108.9 . . ?
 C17 C16 H16A 108.9 . . ?
 C17 C16 H16B 108.9 . . ?
 H16A C16 H16B 107.8 . . ?
 C17 C18 H18 119.6 . . ?
 C19 C18 C17 120.79(14) . . ?
 C19 C18 H18 119.6 . . ?
 N2 C24 H24A 109.5 . . ?
 N2 C24 H24B 109.5 . . ?
 N2 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 O2 C23 H23A 109.5 . . ?
 O2 C23 H23B 109.5 . . ?
 O2 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C21 C20 H20 120.0 . . ?
 C19 C20 H20 120.0 . . ?
 C19 C20 C21 119.96(14) . . ?
 C22 C21 H21 119.9 . . ?
 C20 C21 C22 120.29(14) . . ?
 C20 C21 H21 119.9 . . ?
 C18 C19 H19 120.1 . . ?
 C20 C19 C18 119.87(14) . . ?
 C20 C19 H19 120.1 . . ?


_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 1.372
_oxdiff_exptl_absorpt_empirical_full_min 0.646
