DYKAT of Baylis-Hillman Adducts: Concise Total Synthesis of Furaquinocin E
Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui; Journal of the American Chemical Society 124 (2002) 11616–11617; doi:10.1021/ja0277834

data_4115184
_publ_section_title
;
 DYKAT of Baylis-Hillman Adducts: Concise Total Synthesis of Furaquinocin
 E
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11616
_journal_page_last               11617
_journal_paper_doi               10.1021/ja0277834
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C13 H13 N O3 '
_chemical_formula_sum            'C13 H13 N O3'
_chemical_formula_weight         231.25
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.8502(3)
_cell_length_b                   12.676(4)
_cell_length_c                   14.0451(3)
_cell_measurement_temperature    273.1
_cell_volume                     1219.6(4)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.9846
_diffrn_measured_fraction_theta_max 0.9846
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5431
_diffrn_reflns_theta_full        24.69
_diffrn_reflns_theta_max         24.69
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       rhombic
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1197
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                944
_reflns_number_total             1174
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0277834_s2.cif
_cod_data_source_block           '_ort529_for_Oliver_Thiel_a'
_cod_original_cell_volume        1219.6(2)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C13 H13 N O3 '
_cod_database_code               4115184