Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent Position Control in the Nucleophilic Attack to a π-Allylpalladium Intermediate
Ryo Shintani; Soyoung Park; Tamio Hayashi; Journal of the American Chemical Society 129 (2007) 14866–14867; doi:10.1021/ja077236o

data_4110268
_publ_section_title
;
 Palladium-Catalyzed Synthesis of Spiro[2.4]heptanes: Ligand-Dependent
 Position Control in the Nucleophilic Attack to a \p-Allylpalladium
 Intermediate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14866
_journal_page_last               14867
_journal_paper_doi               10.1021/ja077236o
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C16 H18 O4 '
_chemical_formula_sum            'C16 H18 O4'
_chemical_formula_weight         274.32
_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'
_cell_angle_alpha                72.48(3)
_cell_angle_beta                 88.50(3)
_cell_angle_gamma                76.67(2)
_cell_formula_units_Z            2
_cell_length_a                   7.328(5)
_cell_length_b                   8.183(5)
_cell_length_c                   12.226(10)
_cell_measurement_reflns_used    5686
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     679.5(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6644
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_description       prism
_exptl_crystal_F_000             292.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3071
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0670P)^2^+0.2630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                2553
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja077236osi20070918_123431.cif
_cod_data_source_block           '_70707yuki'
_cod_original_cell_volume        679.6(8)
_cod_original_formula_sum        'C16 H18 O4 '
_cod_database_code               4110268