Lupulin D
Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.; Acta Crystallographica Section C 52 (1996) 2229–2231; doi:10.1107/S0108270196004829

data_2005432
_publ_section_title
;
 Lupulin D
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2229
_journal_page_last               2231
_journal_paper_doi               10.1107/S0108270196004829
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C25 H38 O8'
_chemical_formula_weight         466.6
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.114(3)
_cell_length_b                   11.289(4)
_cell_length_c                   21.103(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      11
_cell_volume                     2409.5(15)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP/VAX (Frenz, 1978)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965) SDP/VAX'
_computing_publication_material  SDP
_computing_structure_refinement  'LSFM SDP/VAX'
_computing_structure_solution    'MULTAN11/82 (Main et al., 1982)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2436
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type
'empirical \y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_description       block
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.212
_refine_diff_density_min         0.000
_refine_ls_extinction_coef       'g = 4E-7'
_refine_ls_extinction_method     |F~c~|/(1+gI~c~)
_refine_ls_goodness_of_fit_obs   0.841
_refine_ls_number_parameters     299
_refine_ls_number_reflns         2058
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          2058
_reflns_number_total             2436
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1076.cif
_cod_data_source_block           ta1076a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' unit' changed to 'unit'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2409(2)
_cod_database_code               2005432