Silver-catalyzed cyclization of 2-pyridyl alkynyl carbinols with isocyanides: divergent synthesis of indolizines and pyrroles
Xianyu Meng; Peiqiu Liao; Jianquan Liu; Xihe Bi; Chem.Commun. 50 (2014) 11837–; doi:10.1039/C4cc04905E

data_7115703
_publ_section_title
;
 Silver-catalyzed cyclization of 2-pyridyl alkynyl carbinols with
 isocyanides: divergent synthesis of indolizines and pyrroles
;
_journal_name_full               Chem.Commun.
_journal_page_first              11837
_journal_paper_doi               10.1039/C4cc04905E
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C H Br N O S'
_chemical_formula_weight         155.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_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                96.2120(10)
_cell_angle_beta                 94.4590(10)
_cell_angle_gamma                97.0610(10)
_cell_formula_units_Z            7
_cell_length_a                   7.1457(7)
_cell_length_b                   9.8623(11)
_cell_length_c                   11.5311(11)
_cell_measurement_temperature    293(2)
_cell_volume                     798.31(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0161
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4707
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    9.291
_exptl_crystal_density_diffrn    2.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             511
_refine_diff_density_max         4.290
_refine_diff_density_min         -2.867
_refine_diff_density_rms         0.207
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.30(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.178
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3906
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      2.177
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0940
_refine_ls_shift/su_max          0.832
_refine_ls_shift/su_mean         0.228
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2639
_refine_ls_wR_factor_ref         0.2771
_reflns_number_gt                3379
_reflns_number_total             3906
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc04905e2.cif
_cod_data_source_block           m2
_cod_database_code               7115703