Stereochemical considerations on the stereoselective cyclopropanation reactions of 3-aryl-2-phosphonoacrylates induced by the (−)-8-phenylmenthyl group as a chiral auxiliary
Ryukichi Takagi; Miki Hashizume; Minoru Nakamura; Shahnaz Begum; Yoshikazu Hiraga; Satoshi Kojima; Katsuo Ohkata; J. Chem. Soc., Perkin Trans. 1  (2002) 179–190; doi:10.1039/b108925k

data_7204271
_publ_section_title
;
 Stereochemical considerations on the stereoselective cyclopropanation
 reactions of 3-aryl-2-phosphonoacrylates induced by the
 (&#x2212;)-8-phenylmenthyl group as a chiral auxiliary
;
_journal_issue                   2
_journal_name_full               'J. Chem. Soc., Perkin Trans. 1'
_journal_page_first              179
_journal_page_last               190
_journal_paper_doi               10.1039/b108925k
_journal_year                    2002
_chemical_formula_moiety         'C31 H43 O6 P '
_chemical_formula_sum            'C31 H43 O6 P'
_chemical_formula_weight         542.65
_chemical_melting_point          103.0(10)
_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                   9.4830(3)
_cell_length_b                   13.9840(4)
_cell_length_c                   23.2390(6)
_cell_measurement_temperature    298
_cell_volume                     3081.73(15)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9934
_diffrn_measured_fraction_theta_max 0.9934
_diffrn_measurement_device_type  'MacScienece DIP2030'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4088
_diffrn_reflns_theta_full        27.84
_diffrn_reflns_theta_max         27.84
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.60
_refine_diff_density_min         -0.26
_refine_ls_abs_structure_Flack   1.4(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.491
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     344
_refine_ls_number_reflns         2650
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.3420
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.01000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                2650
_reflns_number_total             4088
_reflns_threshold_expression     F^2^>5.0\s(F^2^)
_cod_data_source_file            b108925k.txt
_cod_data_source_block           cyclopropane-phosphoryl-Ph
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '102-104' was changed to '103.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        3081.7(2)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C31 H43 O6 P '
_cod_database_code               7204271