Total syntheses of sesterpenic acids: refuted (+/-)-bilosespenes A and B.
Hsu, Day-Shin; Liao, Chun-Chen; Organic letters 5 (2003) 4741–4743; doi:10.1021/ol035944i

data_1507416
_publ_section_title
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 Total syntheses of sesterpenic acids: refuted (+/-)-bilosespenes A and B.
;
_journal_issue                   24
_journal_name_full               'Organic letters'
_journal_page_first              4741
_journal_page_last               4743
_journal_paper_doi               10.1021/ol035944i
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C26 H42 O5'
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                76.158(1)
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_cell_length_c                   14.5584(10)
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_cell_measurement_temperature    294(2)
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_cell_measurement_theta_min      2.5
_cell_volume                     1234.21(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.97517
_exptl_absorpt_correction_T_min  0.91465
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       Equant
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_exptl_crystal_size_max          0.45
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0989P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1558
_refine_ls_wR_factor_ref         0.1702
_reflns_number_gt                3925
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol035944isi20031004_115418.cif
_cod_data_source_block           mr02m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1507416