Chalcogeno-Morita-Baylis-Hillman Reaction of Enones with Acetals: Simple α-Alkoxyalkylation of Enones
Hironori Kinoshita; Takashi Osamura; Sayaka Kinoshita; Tatsunori Iwamura; Shin-ichi Watanabe; Tadashi Kataoka; Genzoh Tanabe; Osamu Muraoka; Journal of Organic Chemistry 68 (2003) 7532–7534; doi:10.1021/jo0348470

data_4022535
_publ_contact_author_email       ' kataoka@gifu-pu.ac.jp '
_publ_contact_author_fax         ' +81-58-237-5979 '
_publ_contact_author_name        ' Tadashi Kataoka'
_publ_contact_author_phone       ' +81-58-237-5979 '
_publ_section_title
;
 Chalcogeno-Morita-Baylis-Hillman Reaction of Enones
 with Acetals: Simple \a-Alkoxyalkylation of Enones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7532
_journal_page_last               7534
_journal_paper_doi               10.1021/jo0348470
_journal_volume                  68
_journal_year                    2003
_chemical_formula_sum            'C36 H38 B2 F8 O4 Se2'
_chemical_formula_weight         866.22
_chemical_melting_point          432.5-424
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Mon Apr  7 03:39:33 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                104.43(1)
_cell_angle_beta                 108.27(1)
_cell_angle_gamma                101.63(1)
_cell_formula_units_Z            4
_cell_length_a                   12.282(2)
_cell_length_b                   15.821(2)
_cell_length_c                   11.963(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     2036.7(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 1.0462
_diffrn_measured_fraction_theta_max 1.0462
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9806
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.81
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.774
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.95
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.926
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8190
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                5098
_reflns_number_total             9802
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo0348470si20030627_021750.cif
_cod_data_source_block           TK-2146
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C36 H38 B2 F8 O4 Se2 '
_cod_database_code               4022535