Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C double bonds: an efficient method for the ketonization-olefination of indoles.
Bao, Yun-Hong; Zhu, Jia-Yi; Qin, Wen-Bing; Kong, Yu-Bo; Chen, Zheng-Wang; Tang, Shao-Bin; Liu, Liang-Xian; Organic & biomolecular chemistry 11 (2013) 7938–7945; doi:10.1039/c3ob41589a

data_7153164
_publ_section_title
;
 Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C
 double bonds: an efficient method for the ketonization-olefination of
 indoles.
;
_journal_issue                   45
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7938
_journal_page_last               7945
_journal_paper_doi               10.1039/c3ob41589a
_journal_volume                  11
_journal_year                    2013
_chemical_formula_sum            'C21 H18 N O5'
_chemical_formula_weight         364.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                73.4260(10)
_cell_angle_beta                 83.0680(10)
_cell_angle_gamma                82.1040(10)
_cell_formula_units_Z            2
_cell_length_a                   5.86050(10)
_cell_length_b                   11.8631(2)
_cell_length_c                   14.0648(3)
_cell_measurement_temperature    296(2)
_cell_volume                     924.90(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 0.969
_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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8926
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.094
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             382
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.400
_refine_ls_shift/su_mean         0.030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0924P)^2^+0.1502P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1598
_reflns_number_gt                3436
_reflns_number_total             4290
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ob41589a.txt
_cod_data_source_block           1
_cod_database_code               7153164