# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_preex1_auto
_database_code_depnum_ccdc_archive 'CCDC 2475367'
loop_
_audit_author_name
_audit_author_address
'Emanuele Priola'
;University of Turin
Italy
;
_audit_update_record             
;
2025-07-23 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;
_audit_creation_date             2022-04-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H23 N O3'
_chemical_formula_sum            'C15 H23 N O3'
_chemical_formula_weight         265.34
_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'
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'

_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                   9.4288(5)
_cell_length_b                   12.6625(7)
_cell_length_c                   13.1745(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.224(5)
_cell_angle_gamma                90
_cell_volume                     1566.41(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6306
_cell_measurement_temperature    298
_cell_measurement_theta_max      26.3920
_cell_measurement_theta_min      3.8660
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.992
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25743
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.650
_diffrn_reflns_theta_min         3.498
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1990
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00   3.00   1.00   50.00    --   -9.89  69.00 -32.78   44
  2  ω    -13.00  77.00   1.00   50.00    --   11.30  37.00  90.00   90
  3  ω    -37.00  39.00   1.00   50.00    --   11.30 -57.00 120.00   76
  4  ω    -35.00  -9.00   1.00   50.00    --   11.30 -57.00 -90.00   26
  5  ω      6.00  39.00   1.00   50.00    --   11.30 -57.00 -90.00   33
  6  ω    -61.00  39.00   1.00   50.00    --   11.30 -57.00  30.00  100
  7  ω     -2.00  84.00   1.00   50.00    --   11.30  57.00 -60.00   86
  8  ω    -36.00  39.00   1.00   50.00    --   11.30 -57.00-150.00   75
  9  ω    -19.00  56.00   1.00   50.00    --   11.30  69.00 170.58   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0135349000
_diffrn_orient_matrix_UB_12      -0.0256665000
_diffrn_orient_matrix_UB_13      -0.0477683000
_diffrn_orient_matrix_UB_21      -0.0588722000
_diffrn_orient_matrix_UB_22      -0.0265803000
_diffrn_orient_matrix_UB_23      0.0181876000
_diffrn_orient_matrix_UB_31      -0.0453389000
_diffrn_orient_matrix_UB_32      0.0421290000
_diffrn_orient_matrix_UB_33      -0.0175787000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2591
_reflns_number_total             4101
_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 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.180
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         4101
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0617
_refine_ls_restrained_S_all      1.023
_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)+(0.0719P)²+0.3837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1721
_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. Rigid bond restraints
 C11, C10, C12
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C11 \\sim C10 \\sim C12: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 1.7A
Uanis(C11) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of
0.1 and sigma for terminal atoms of 0.2
4.a Ternary CH refined with riding coordinates:
 C8(H8), C10(H10), C13(H13)
4.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C4(H4), C3(H3)
4.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C12(H12A,H12B,H12C), C15(H15A,H15B,
 H15C), C11(H11A,H11B,H11C)
4.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
O1 O 0.09318(14) 0.24012(11) 0.91818(9) 0.0613(4) Uani 1 1 d . . . . .
H1 H 0.149215 0.250030 0.968615 0.092 Uiso 1 1 calc R U . . .
O3 O -0.24244(13) 0.23455(11) 0.59536(9) 0.0620(4) Uani 1 1 d . . . . .
C6 C 0.04038(16) 0.30164(13) 0.75047(12) 0.0415(4) Uani 1 1 d . . . . .
O2 O -0.00740(16) 0.14316(12) 0.65205(11) 0.0676(4) Uani 1 1 d . . . . .
N1 N -0.29219(14) 0.29498(13) 0.74937(10) 0.0528(4) Uani 1 1 d . . . . .
C7 C 0.05984(18) 0.37635(15) 0.67607(13) 0.0517(4) Uani 1 1 d . . . . .
H7 H 0.008922 0.369483 0.612564 0.062 Uiso 1 1 calc R U . . .
C5 C 0.11639(17) 0.31289(13) 0.84552(12) 0.0469(4) Uani 1 1 d . . . . .
C9 C -0.20863(17) 0.24820(13) 0.68745(11) 0.0443(4) Uani 1 1 d . . . . .
C8 C -0.05881(17) 0.20956(13) 0.72758(12) 0.0453(4) Uani 1 1 d . . . . .
H8 H -0.065608 0.168620 0.790073 0.054 Uiso 1 1 calc R U . . .
C4 C 0.2090(2) 0.39690(16) 0.86311(16) 0.0619(5) Uani 1 1 d . . . . .
H4 H 0.260083 0.404380 0.926507 0.074 Uiso 1 1 calc R U . . .
C2 C 0.1525(2) 0.46097(16) 0.69286(17) 0.0630(5) Uani 1 1 d . . . . .
C10 C -0.2503(2) 0.3093(2) 0.85962(14) 0.0723(6) Uani 1 1 d . U . . .
H10 H -0.157132 0.275372 0.873871 0.087 Uiso 1 1 calc R U . . .
C3 C 0.2263(2) 0.46958(17) 0.78748(18) 0.0701(6) Uani 1 1 d . . . . .
H3 H 0.289139 0.525582 0.800607 0.084 Uiso 1 1 calc R U . . .
C13 C -0.4332(2) 0.3383(2) 0.70935(15) 0.0734(6) Uani 1 1 d . . . . .
H13 H -0.474559 0.370372 0.767598 0.088 Uiso 1 1 calc R U . . .
C1 C 0.1725(3) 0.5400(2) 0.6100(2) 0.1010(9) Uani 1 1 d . . . . .
H1A H 0.184888 0.503417 0.547605 0.151 Uiso 1 1 calc R U . . .
H1B H 0.255184 0.582245 0.629056 0.151 Uiso 1 1 calc R U . . .
H1C H 0.090136 0.584729 0.600517 0.151 Uiso 1 1 calc R U . . .
C14 C -0.4170(3) 0.4267(2) 0.6335(2) 0.0960(8) Uani 1 1 d . . . . .
H14A H -0.342662 0.473661 0.659789 0.144 Uiso 1 1 calc R U . . .
H14B H -0.504967 0.464946 0.622608 0.144 Uiso 1 1 calc R U . . .
H14C H -0.393175 0.397285 0.570043 0.144 Uiso 1 1 calc R U . . .
C12 C -0.3532(3) 0.2511(4) 0.92238(19) 0.1386(15) Uani 1 1 d . U . . .
H12A H -0.447162 0.279696 0.907970 0.208 Uiso 1 1 calc R U . . .
H12B H -0.323457 0.259571 0.993566 0.208 Uiso 1 1 calc R U . . .
H12C H -0.353858 0.177440 0.905223 0.208 Uiso 1 1 calc R U . . .
C15 C -0.5357(2) 0.2518(3) 0.6698(2) 0.0995(9) Uani 1 1 d . . . . .
H15A H -0.503518 0.221571 0.609089 0.149 Uiso 1 1 calc R U . . .
H15B H -0.629005 0.281277 0.654460 0.149 Uiso 1 1 calc R U . . .
H15C H -0.539282 0.197932 0.720748 0.149 Uiso 1 1 calc R U . . .
C11 C -0.2303(4) 0.4247(3) 0.8862(2) 0.1317(13) Uani 1 1 d . U . . .
H11A H -0.165529 0.455969 0.842759 0.198 Uiso 1 1 calc R U . . .
H11B H -0.192339 0.431243 0.956032 0.198 Uiso 1 1 calc R U . . .
H11C H -0.320521 0.460229 0.876707 0.198 Uiso 1 1 calc R U . . .
H2 H -0.065(2) 0.1583(15) 0.6020(15) 0.051(5) 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
O1 H1 0.8200 . ?
O1 C5 1.361(2) . ?
O3 C9 1.2382(19) . ?
C6 C7 1.386(2) . ?
C6 C5 1.392(2) . ?
C6 C8 1.508(2) . ?
O2 C8 1.421(2) . ?
O2 H2 0.84(2) . ?
N1 C9 1.324(2) . ?
N1 C10 1.481(2) . ?
N1 C13 1.490(2) . ?
C7 H7 0.9300 . ?
C7 C2 1.387(3) . ?
C5 C4 1.383(3) . ?
C9 C8 1.542(2) . ?
C8 H8 0.9800 . ?
C4 H4 0.9300 . ?
C4 C3 1.377(3) . ?
C2 C3 1.376(3) . ?
C2 C1 1.505(3) . ?
C10 H10 0.9800 . ?
C10 C12 1.521(4) . ?
C10 C11 1.511(4) . ?
C3 H3 0.9300 . ?
C13 H13 0.9800 . ?
C13 C14 1.517(4) . ?
C13 C15 1.521(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 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
C5 O1 H1 109.5 . . ?
C7 C6 C5 118.40(16) . . ?
C7 C6 C8 120.39(14) . . ?
C5 C6 C8 121.20(15) . . ?
C8 O2 H2 100.2(13) . . ?
C9 N1 C10 122.54(14) . . ?
C9 N1 C13 120.56(14) . . ?
C10 N1 C13 116.88(15) . . ?
C6 C7 H7 118.8 . . ?
C6 C7 C2 122.43(17) . . ?
C2 C7 H7 118.8 . . ?
O1 C5 C6 117.44(15) . . ?
O1 C5 C4 122.87(15) . . ?
C4 C5 C6 119.68(16) . . ?
O3 C9 N1 123.47(15) . . ?
O3 C9 C8 115.95(14) . . ?
N1 C9 C8 120.56(13) . . ?
C6 C8 C9 110.81(13) . . ?
C6 C8 H8 109.1 . . ?
O2 C8 C6 110.65(14) . . ?
O2 C8 C9 107.93(13) . . ?
O2 C8 H8 109.1 . . ?
C9 C8 H8 109.1 . . ?
C5 C4 H4 119.8 . . ?
C3 C4 C5 120.50(18) . . ?
C3 C4 H4 119.8 . . ?
C7 C2 C1 121.1(2) . . ?
C3 C2 C7 117.72(18) . . ?
C3 C2 C1 121.2(2) . . ?
N1 C10 H10 106.8 . . ?
N1 C10 C12 110.3(2) . . ?
N1 C10 C11 111.2(2) . . ?
C12 C10 H10 106.8 . . ?
C11 C10 H10 106.8 . . ?
C11 C10 C12 114.5(3) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 C4 121.28(18) . . ?
C2 C3 H3 119.4 . . ?
N1 C13 H13 106.3 . . ?
N1 C13 C14 111.38(19) . . ?
N1 C13 C15 112.0(2) . . ?
C14 C13 H13 106.3 . . ?
C14 C13 C15 113.8(2) . . ?
C15 C13 H13 106.3 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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 C5 C4 C3 -178.62(18) . . . . ?
O3 C9 C8 C6 107.17(17) . . . . ?
O3 C9 C8 O2 -14.1(2) . . . . ?
C6 C7 C2 C3 -0.2(3) . . . . ?
C6 C7 C2 C1 179.24(19) . . . . ?
C6 C5 C4 C3 0.2(3) . . . . ?
N1 C9 C8 C6 -71.4(2) . . . . ?
N1 C9 C8 O2 167.30(16) . . . . ?
C7 C6 C5 O1 178.48(15) . . . . ?
C7 C6 C5 C4 -0.4(2) . . . . ?
C7 C6 C8 O2 64.68(19) . . . . ?
C7 C6 C8 C9 -55.00(19) . . . . ?
C7 C2 C3 C4 -0.1(3) . . . . ?
C5 C6 C7 C2 0.4(3) . . . . ?
C5 C6 C8 O2 -114.12(17) . . . . ?
C5 C6 C8 C9 126.19(16) . . . . ?
C5 C4 C3 C2 0.0(3) . . . . ?
C9 N1 C10 C12 -118.4(2) . . . . ?
C9 N1 C10 C11 113.4(2) . . . . ?
C9 N1 C13 C14 -63.1(3) . . . . ?
C9 N1 C13 C15 65.7(2) . . . . ?
C8 C6 C7 C2 -178.45(16) . . . . ?
C8 C6 C5 O1 -2.7(2) . . . . ?
C8 C6 C5 C4 178.43(16) . . . . ?
C10 N1 C9 O3 179.20(19) . . . . ?
C10 N1 C9 C8 -2.3(3) . . . . ?
C10 N1 C13 C14 115.5(2) . . . . ?
C10 N1 C13 C15 -115.7(2) . . . . ?
C13 N1 C9 O3 -2.3(3) . . . . ?
C13 N1 C9 C8 176.16(17) . . . . ?
C13 N1 C10 C12 63.0(3) . . . . ?
C13 N1 C10 C11 -65.1(3) . . . . ?
C1 C2 C3 C4 -179.5(2) . . . . ?

_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 1.196
_oxdiff_exptl_absorpt_empirical_full_min 0.842
