A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.
Horn, Evan J.; Silverston, Joel S.; Vanderwal, Christopher D.; The Journal of organic chemistry 81 (2016) 1819–1838; doi:10.1021/acs.joc.5b02550

data_4036530
_publ_section_title
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 A Failed Late-Stage Epimerization Thwarts an Approach to Ineleganolide.
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_journal_issue                   5
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1819
_journal_page_last               1838
_journal_paper_doi               10.1021/acs.joc.5b02550
_journal_volume                  81
_journal_year                    2016
_chemical_formula_sum            'C12 H18 O4'
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_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
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'calc w=1/[\s^2^(Fo^2^)+(0.0534P)^2^+0.1969P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

data item '_atom_sites_solution_hydrogens' value 'difmap & geom' was
changed to 'mixed'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_original_sg_symbol_H-M      Pca2(1)
_cod_database_code               4036530