Asymmetric Diels-Alder reactions of 2-pyrones with a bifunctional organic catalyst.
Wang, Yi; Li, Hongming; Wang, Yong-Qiang; Liu, Yan; Foxman, Bruce M.; Deng, Li; Journal of the American Chemical Society 129 (2007) 6364–6365; doi:10.1021/ja070859h

data_4122031
_publ_section_title
;
 Asymmetric Diels-Alder reactions of 2-pyrones with a bifunctional organic
 catalyst.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6364
_journal_page_last               6365
_journal_paper_doi               10.1021/ja070859h
_journal_volume                  129
_journal_year                    2007
_chemical_absolute_configuration ad
_chemical_formula_sum            'C8 H6.4 Cl N O3.2'
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_computing_cell_refinement       'SAINT (Siemens ,1995)'
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_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.07P)^2^ + 0.35P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2.0\s(I)
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_oxford_refine_ls_scale          0.862(2)
_oxford_structure_analysis_title 'wy in P1'
_cod_data_source_file            ja070859hrom20070206_025015.cif
_cod_data_source_block           WY_15_2_cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 1 '
_cod_database_code               4122031
_cod_duplicate_entry 4109430