Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed Oxidative Cyclization and Ketonization.
Ye, Tzuen-Yang; Selvaraju, Manikandan; Sun, Chung-Ming; Organic letters 19 (2017) 3103–3106; doi:10.1021/acs.orglett.7b01224

data_1546242
_publ_section_title
;
 Cascade Synthesis of Benzimidazole-Linked Pyrroles via Copper Catalyzed
 Oxidative Cyclization and Ketonization.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              3103
_journal_page_last               3106
_journal_paper_doi               10.1021/acs.orglett.7b01224
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C33 H27 N3 O4 S'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_cell_length_a                   9.4864(11)
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_cell_measurement_reflns_used    8086
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.4508
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_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Lump
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_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+0.9208P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1038
_refine_ls_wR_factor_ref         0.1104
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4793
_reflns_number_total             5656
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol7b01224_si_002.cif
_cod_data_source_block           mo_160403lt_0m_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1546241--1546242.cif.
;
_cod_database_code               1546242
_shelxl_version_number           2014/6
_shelx_res_checksum              10637
_shelx_hkl_checksum              70496