Controllable Highly Stereoselective Reaction ofin situGenerated Magnesium Dienolate Intermediates with Different Electrophiles
Lu, Zhan; Chai, Guobi; Zhang, Xiaobing; Ma, Shengming; Organic Letters 10 (2008) 3517–; doi:10.1021/ol8012815

data_1504807
_publ_section_title
;
 Controllable Highly Stereoselective Reaction ofin situGenerated Magnesium
 Dienolate Intermediates with Different Electrophiles
;
_journal_issue                   16
_journal_name_full               'Organic Letters'
_journal_page_first              3517
_journal_paper_doi               10.1021/ol8012815
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C23 H26 O2 '
_chemical_formula_sum            'C23 H26 O2'
_chemical_formula_weight         334.46
_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'
_cell_angle_alpha                103.444(2)
_cell_angle_beta                 91.662(2)
_cell_angle_gamma                95.1097(19)
_cell_formula_units_Z            2
_cell_length_a                   8.2770(6)
_cell_length_b                   8.6143(7)
_cell_length_c                   14.1523(13)
_cell_measurement_reflns_used    5110
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     976.23(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9479
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             360.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       187(33)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     227
_refine_ls_number_reflns         4336
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 5.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2081
_reflns_number_gt                1886
_reflns_number_total             4336
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol8012815-file001.cif
_cod_data_source_block           '_LZ-11-120'
_cod_original_formula_sum        'C23 H26 O2 '
_cod_database_code               1504807