Highly enantioselective alkaloid synthesis via ene-type cyclizations catalyzed by cationic chiral palladium(ii) complexes of PN-ligands with an achiral oxazoline unitElectronic supplementary information (ESI) available: spectral data of substrates, cyclized products and PN-ligands and crystallographic data of Pd complexes. See http://www.rsc.org/suppdata/ob/b3/b305865b/
Hatano, Manabu; Mikami, Koichi; Organic & Biomolecular Chemistry 1 (2003) 3871–; doi:10.1039/b305865b

data_7151488
_publ_section_title
;
 Highly enantioselective alkaloid synthesis via ene-type cyclizations
 catalyzed by cationic chiral palladium(ii) complexes of PN-ligands
 with an achiral oxazoline unitElectronic supplementary information
 (ESI) available: spectral data of substrates, cyclized products and
 PN-ligands and crystallographic data of Pd complexes. See
 http://www.rsc.org/suppdata/ob/b3/b305865b/
;
_journal_issue                   22
_journal_name_full               'Organic &amp;  Biomolecular Chemistry'
_journal_page_first              3871
_journal_paper_doi               10.1039/b305865b
_journal_volume                  1
_journal_year                    2003
_chemical_formula_sum            'C37 H30 F6 N O P Pd Sb'
_chemical_formula_weight         877.74
_chemical_name_common
;
(h3-Allyl)[(aS)-2-[4,4-dimethyl-oxazol-2-yl]-2^[$B!G^[(B-diphenylphosphino-
1,1^[$B!G^[(B-binaphthyl]palladium(II) hexafluoroantimonate
;
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6824(3)
_cell_length_b                   17.9641(4)
_cell_length_c                   11.6546(3)
_cell_measurement_temperature    253(2)
_cell_volume                     3702.07(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4707
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.318
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1732
_refine_diff_density_max         0.431
_refine_diff_density_min         -1.400
_refine_diff_density_rms         0.139
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.41(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         4707
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0391P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                4478
_reflns_number_total             4707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b305865b.txt
_cod_data_source_block           aaa1
_cod_original_cell_volume        3702.06(14)
_cod_database_code               7151488