Polarizing the Nazarov Cyclization: The Impact of Dienone Substitution Pattern on Reactivity and Selectivity
Wei He; Ildiko R. Herrick; Tulay A. Atesin; Patrick A. Caruana; Colleen A. Kellenberger; Alison J. Frontier; Journal of the American Chemical Society 130 (2008) 1003–1011; doi:10.1021/ja077162g

data_4107325
_publ_section_title
;
 Polarizing the Nazarov Cyclization: The Impact of Dienone Substitution
 Pattern on Reactivity and Selectivity
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1003
_journal_page_last               1011
_journal_paper_doi               10.1021/ja077162g
_journal_volume                  130
_journal_year                    2008
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_cell_angle_gamma                90.00
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_cell_length_c                   14.944(3)
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_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens SMART CCD Platform'
_diffrn_measurement_method       'area detector, \w scans per \f'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         27.87
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_exptl_absorpt_correction_T_max  0.9693
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_exptl_absorpt_process_details   'SADABS (Blessing, 1995)'
_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4154
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_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0605
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0557P)^2^+0.5487P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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