Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions
Wei He; Xiufeng Sun; Alison J. Frontier; Journal of the American Chemical Society 125 (2003) 14278–14279; doi:10.1021/ja037910b

data_4114411
_publ_section_title
;
 Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild
 Conditions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14278
_journal_page_last               14279
_journal_paper_doi               10.1021/ja037910b
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C21 H26 O6'
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_chemical_name_systematic
;
 12a
;
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_cell_angle_gamma                74.7850(10)
_cell_formula_units_Z            2
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_cell_length_c                   13.9655(7)
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     965.55(9)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        XPREP
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  SMART
_diffrn_measurement_method       multirun
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0158
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_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.99
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.42
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_refine_diff_density_max         0.245
_refine_diff_density_min         -0.180
_refine_diff_density_rms         0.033
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4634
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_refine_ls_R_factor_all          0.0495
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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^)+(0.0547P)^2^+0.1980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja037910bsi20030814_043516_1.cif
_cod_data_source_block           frowh01
_cod_database_code               4114411