Facile Synthesis of 9H-Pyrrolo[1,2-a]indoles Via Brønsted Acid Catalyzed Cascade Reaction
xu, kunhua; chen, wenming; lin, jin; chen, guifang; wang, biao; Xu, Tian; Chemical Communications  (2019) –; doi:10.1039/C9CC07228D

data_7124465
_publ_section_title
;
 Facile Synthesis of 9H-Pyrrolo[1,2-a]indoles Via Br\/onsted Acid
 Catalyzed Cascade Reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC07228D
_journal_year                    2019
_chemical_formula_sum            'C33 H26 N2'
_chemical_formula_weight         450.56
_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
_audit_update_record
;
2019-07-31 deposited with the CCDC.	2019-11-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.081(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.9959(6)
_cell_length_b                   10.4193(4)
_cell_length_c                   30.6729(11)
_cell_measurement_temperature    293(2)
_cell_volume                     5431.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            22454
_diffrn_reflns_theta_full        67.25
_diffrn_reflns_theta_max         67.25
_diffrn_reflns_theta_min         4.98
_exptl_absorpt_coefficient_mu    0.490
_exptl_absorpt_correction_T_max  0.9480
_exptl_absorpt_correction_T_min  0.9435
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.965
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       0.0015(4)
_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   1.499
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4863
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.499
_refine_ls_R_factor_all          0.1568
_refine_ls_R_factor_gt           0.1324
_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          0.3673
_refine_ls_wR_factor_ref         0.3965
_reflns_number_gt                3347
_reflns_number_total             4863
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9cc07228d2.cif
_cod_data_source_block           10151
_cod_database_code               7124465