Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones
Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada; Journal of the American Chemical Society 125 (2003) 2860–2861; doi:10.1021/ja029534l

data_4113548
_publ_section_title
;
 Asymmetric Catalysis on the Intramolecular Cyclopropanation of
 \a-Diazo-\b-keto Sulfones
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2860
_journal_page_last               2861
_journal_paper_doi               10.1021/ja029534l
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C19 H22 O3 S '
_chemical_formula_sum            'C19 H22 O3 S'
_chemical_formula_weight         330.44
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             2002-10-22
_audit_creation_method           'by CrystalStructure v3.00'
_cell_angle_alpha                80.19(4)
_cell_angle_beta                 79.47(3)
_cell_angle_gamma                69.01(3)
_cell_formula_units_Z            2
_cell_length_a                   8.022(3)
_cell_length_b                   8.910(4)
_cell_length_c                   13.138(5)
_cell_measurement_reflns_used    9643
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.0
_cell_volume                     856.3(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9817
_diffrn_measured_fraction_theta_max 0.9817
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7546
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.201
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.938
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_description       unknown
_exptl_crystal_F_000             352.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.49
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1850 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.09(7)
_refine_ls_extinction_coef       -40.0(1)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.349
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     461
_refine_ls_number_reflns         5708
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s^2^(Fo) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1250
_reflns_number_gt                5708
_reflns_number_total             5368
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja029534lsi20030117_035028_8.cif
_cod_data_source_block           '_cp56-off_________________'
_cod_original_cell_volume        856.3(7)
_cod_original_sg_symbol_H-M      'P 1 '
_cod_original_formula_sum        'C19 H22 O3 S '
_cod_database_code               4113548