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_7114217
_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_sum            'C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2'
_chemical_formula_weight         1593.94
_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                   10.641(3)
_cell_length_b                   18.805(5)
_cell_length_c                   34.692(9)
_cell_measurement_reflns_used    15438
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6942(3)
_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 1.7951
_diffrn_measured_fraction_theta_max 1.7951
_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  0.049
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            53295
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.940
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.74
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     835
_refine_ls_number_reflns         7688
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.0454
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                7688
_reflns_number_total             15705
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b201625g.txt
_cod_data_source_block           nakano-Pdcomplex-4
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C73.50 H66.50 Cl8.50 N2 O2.50 P2 Pd2 '
_cod_database_code               7114217