Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide [J. Am. Chem. Soc. 2004, 126, 2714-2715].
Sang Ick Lee; Ji Hoon Park; Young Keun Chung; Sueg-Geun Lee; Journal of the American Chemical Society 126 (2004) 10190–10190; doi:10.1021/ja040813d

data_4112845
_publ_section_title
;
 Rhodium-Catalyzed Carbonylative [3+2+1] Cycloaddition Reaction: Catalytic
 Formation of Bicyclic Cyclohexenones from Trienes and Carbon Monoxide [J.
 Am. Chem. Soc. 2004, 126, 2714-2715].
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10190
_journal_page_last               10190
_journal_paper_doi               10.1021/ja040813d
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C23 H24 O5 S2'
_chemical_formula_weight         444.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   '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                 90.701(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.965(3)
_cell_length_b                   8.034
_cell_length_c                   16.390(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4340.4(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6181
_diffrn_reflns_theta_full        24.48
_diffrn_reflns_theta_max         24.48
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.278
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_F_000             1872
_refine_diff_density_max         0.034
_refine_diff_density_min         -0.024
_refine_diff_density_rms         0.006
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.1493
_refine_ls_R_factor_gt           0.1244
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1321P)^2^+0.1621P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3467
_refine_ls_wR_factor_ref         0.3639
_reflns_number_gt                2649
_reflns_number_total             3500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja040813d.cif
_cod_data_source_block           penta
_cod_database_code               4112845