Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons
Cao, Bo; Wei, Yin; Shi, Min; Organic Chemistry Frontiers 5 (2018) 423–; doi:10.1039/C7QO00882A

data_1553926
_publ_section_title
;
 Indium(iii)-catalyzed intramolecular dearomative cycloaddition
 ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic
 pyrroloindoline skeletons
;
_journal_issue                   3
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              423
_journal_paper_doi               10.1039/C7QO00882A
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C33 H33 N3 O4 S2'
_chemical_formula_weight         599.74
_space_group_crystal_system      monoclinic
_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
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-12-23 deposited with the CCDC.
2017-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.533(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.342(3)
_cell_length_b                   14.1163(13)
_cell_length_c                   13.8882(14)
_cell_measurement_reflns_used    3125
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      42.765
_cell_measurement_theta_min      4.872
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_computing_cell_refinement       'Bruker SMART'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prismatic
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0784
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0766P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           cd15336
_cod_original_cell_volume        5993.1(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1553926
_shelx_estimated_absorpt_t_min   0.953
_shelx_estimated_absorpt_t_max   0.974
_shelxl_version_number           2013-4
_shelx_res_checksum              9768
_shelx_hkl_checksum              60147