Mechanistic Insight into the Dehydro-Diels-Alder Reaction of Styrene-Ynes.
Kocsis, Laura S.; Kagalwala, Husain N.; Mutto, Sharlene; Godugu, Bhaskar; Bernhard, Stefan; Tantillo, Dean J.; Brummond, Kay M.; The Journal of organic chemistry 80 (2015) 11686–11698; doi:10.1021/acs.joc.5b00200

data_4031000
_publ_section_title
;
 Mechanistic Insight into the Dehydro-Diels-Alder Reaction of
 Styrene-Ynes.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11686
_journal_page_last               11698
_journal_paper_doi               10.1021/acs.joc.5b00200
_journal_volume                  80
_journal_year                    2015
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0750P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo5b00200_si_001.cif
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_cod_depositor_comments          'Adding full bibliography for 4031000.cif.'
_cod_database_code               4031000
_shelx_estimated_absorpt_t_min   0.742
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