Remarkably Facile Hexatriene Electrocyclizations as a Route to Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones
Nabi A. Magomedov; Piero L. Ruggiero; Yuchen Tang; Journal of the American Chemical Society 126 (2004) 1624–1625; doi:10.1021/ja0399066

data_4112244
_publ_section_title
;
 Remarkably Facile Hexatriene Electrocyclizations as a Route to
 Functionalized Cyclohexenones via Ring Expansion of Cyclobutenones
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1624
_journal_page_last               1625
_journal_paper_doi               10.1021/ja0399066
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C14 H14 O3 S'
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_computing_cell_refinement       'Bruker SMART'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_absorpt_coefficient_mu    0.259
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      0
_exptl_crystal_description       Needle
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_exptl_crystal_size_min          0.17
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0501
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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^)+(0.0478P)^2^+0.1581P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
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