Rh(II)-catalyzed skeletal reorganization of enynes involving selective cleavage of C-C triple bonds.
Ota, Kazusa; Chatani, Naoto; Chemical communications (Cambridge, England)  (2008) 2906–2907; doi:10.1039/b805100c

data_7103190
_publ_section_title
;
 Rh(II)-catalyzed skeletal reorganization of enynes involving selective
 cleavage of C-C triple bonds.
;
_journal_issue                   25
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2906
_journal_page_last               2907
_journal_paper_doi               10.1039/b805100c
_journal_year                    2008
_chemical_formula_sum            'C23 H26 O2'
_chemical_formula_weight         334.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 101.821(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   11.0122(8)
_cell_length_b                   42.512(3)
_cell_length_c                   16.7649(12)
_cell_measurement_reflns_used    14755
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      71.59
_cell_measurement_theta_min      3.40
_cell_volume                     7682.1(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.2586
_diffrn_reflns_av_sigmaI/netI    0.2980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            120789
_diffrn_reflns_theta_full        71.59
_diffrn_reflns_theta_max         71.59
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_T_max  0.9889
_exptl_absorpt_correction_T_min  0.9565
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         14755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.845
_refine_ls_R_factor_all          0.4235
_refine_ls_R_factor_gt           0.1249
_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^)+(0.1605P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2547
_refine_ls_wR_factor_ref         0.4242
_reflns_number_gt                2323
_reflns_number_total             14755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b805100c.txt
_cod_data_source_block           Naph
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7103190