Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton Transfer
Guangxin Liang; Dirk Trauner; Journal of the American Chemical Society 126 (2004) 9544–9545; doi:10.1021/ja0476664

data_4112822
_publ_section_title
;
 Enantioselective Nazarov Reactions through Catalytic Asymmetric Proton
 Transfer
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9544
_journal_page_last               9545
_journal_paper_doi               10.1021/ja0476664
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C21 H35 O5 '
_chemical_formula_sum            'C21 H35 O5'
_chemical_formula_weight         367.50
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Mon May 10 11:31:42 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 100.599(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.1543(7)
_cell_length_b                   10.914(1)
_cell_length_c                   14.747(2)
_cell_measurement_reflns_used    4370
_cell_measurement_temperature    143.2
_cell_measurement_theta_max      21.7
_cell_measurement_theta_min      2.3
_cell_volume                     973.63(19)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9572
_diffrn_measured_fraction_theta_max 0.9572
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       /w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            1683
_diffrn_reflns_theta_full        24.65
_diffrn_reflns_theta_max         24.65
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_description       block
_exptl_crystal_F_000             402.00
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1408
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0602
_reflns_number_gt                1408
_reflns_number_total             1677
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja0476664si20040510_080649.cif
_cod_data_source_block           gl095_for_G._Liang_@_-140_C
_cod_original_cell_volume        973.6(2)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C21 H35 O5 '
_cod_database_code               4112822