Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic All-Quaternary Carbon Centers.
Chen, Zi-Sheng; Huang, Xiao-Yan; Gao, Jin-Ming; Ji, Kegong; Organic letters 18 (2016) 5876–5879; doi:10.1021/acs.orglett.6b02958

data_1555904
_publ_section_title
;
 Relay Rh(II)/Pd(0) Dual Catalysis: Selective Construction of Cyclic
 All-Quaternary Carbon Centers.
;
_journal_issue                   22
_journal_name_full               'Organic letters'
_journal_page_first              5876
_journal_page_last               5879
_journal_paper_doi               10.1021/acs.orglett.6b02958
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C21 H19 N O5'
_chemical_formula_weight         365.37
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 113.315(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.915(13)
_cell_length_b                   10.604(5)
_cell_length_c                   15.390(8)
_cell_measurement_temperature    296(2)
_cell_volume                     3734(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9386
_diffrn_reflns_theta_full        25.46
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.093
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_refine_diff_density_max         1.006
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.245
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3463
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.245
_refine_ls_R_factor_all          0.1859
_refine_ls_R_factor_gt           0.1141
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3437
_refine_ls_wR_factor_ref         0.3997
_reflns_number_gt                1600
_reflns_number_total             3463
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol6b02958_si_002.cif
_cod_data_source_block           xb94830m
_cod_database_code               1555904