Polystyrene and polymethacrylate resin-supported Jacobsen’s alkene epoxidation catalyst
Canali, Laetitia; Cowan, Elaine; Deleuze, Hervé; Gibson, Colin L.; Sherrington, David C.; Journal of the Chemical Society, Perkin Transactions 1  (2000) 2055–; doi:10.1039/b002118k

data_7213321
_publ_contact_author
;
Alan Kennedy
Dept of P & A Chemistry
University of Strathclyde
295 Cathedral St
Glasgow
G1 1XL
;
_publ_section_title
;
 Polystyrene and polymethacrylate resin-supported Jacobsen&#x2019;s alkene
 epoxidation catalyst
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              2055
_journal_paper_doi               10.1039/b002118k
_journal_year                    2000
_chemical_formula_moiety         'C11 H10 O4 '
_chemical_formula_sum            'C11 H10 O4'
_chemical_formula_weight         206.20
_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             'Wed Mar 16 03:46:34 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                73.34(3)
_cell_angle_beta                 86.35(3)
_cell_angle_gamma                75.58(3)
_cell_formula_units_Z            2
_cell_length_a                   6.667(2)
_cell_length_b                   7.607(3)
_cell_length_c                   10.567(4)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    123
_cell_measurement_theta_max      26.2
_cell_measurement_theta_min      21.5
_cell_volume                     497.2(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      123
_diffrn_measurement_device       'Rigaku AFC7S'
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.07652
_diffrn_orient_matrix_UB_12      -0.07872
_diffrn_orient_matrix_UB_13      0.06857
_diffrn_orient_matrix_UB_21      -0.09432
_diffrn_orient_matrix_UB_22      0.00022
_diffrn_orient_matrix_UB_23      -0.06996
_diffrn_orient_matrix_UB_31      0.09610
_diffrn_orient_matrix_UB_32      -0.11745
_diffrn_orient_matrix_UB_33      -0.01276
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0097
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2371
_diffrn_reflns_theta_max         26.99
_diffrn_standards_decay_%        2.75
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       chip
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_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.500
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_refine_diff_density_max         0.25
_refine_diff_density_min         -0.18
_refine_ls_extinction_coef       '0.86(15) x 10^-5^'
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.908
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         1840
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_obs          0.0333
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0517
_refine_ls_wR_factor_obs         0.0501
_reflns_number_observed          1840
_reflns_number_total             2179
_reflns_observed_criterion       1.50
_cod_data_source_file            b002118ksup1.cif
_cod_data_source_block           Sherr2_Royals/4th_yr
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C11 H10 O4 '
_cod_database_code               7213321