A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/
Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko; Chemical Communications  (2002) 1146–; doi:10.1039/b201625g

data_7114216
_publ_section_title
;
 A novel and efficient chiral palladium--phosphinooxazolidine catalyst for
 the enantioselective Diels--Alder reactionElectronic supplementary
 information (ESI) available: experimental details. See
 http://www.rsc.org/suppdata/cc/b2/b201625g/
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              1146
_journal_paper_doi               10.1039/b201625g
_journal_year                    2002
_chemical_formula_moiety         'C36 H33 N O P '
_chemical_formula_sum            'C36 H33 N O P'
_chemical_formula_weight         526.64
_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                   9.472(7)
_cell_length_b                   17.00(1)
_cell_length_c                   18.07(2)
_cell_measurement_reflns_used    4703
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2910(4)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_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 1.6746
_diffrn_measured_fraction_theta_max 1.6746
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13560
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.123
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.810
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     158
_refine_ls_number_reflns         1113
_refine_ls_R_factor_gt           0.1044
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                1113
_reflns_number_total             6280
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b201625g.txt
_cod_data_source_block           '_nakano-ligand1'
_cod_original_cell_volume        2908(4)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C36 H33 N O P '
_cod_database_code               7114216