Copper-catalyzed aerobic oxidative intramolecular C-H amination leading to imidazobenzimidazole derivatives.
Wang, Xiaoqiang; Jin, Yunhe; Zhao, Yufen; Zhu, Lin; Fu, Hua; Organic letters 14 (2012) 452–455; doi:10.1021/ol202884z

data_1503496
_publ_section_title
;
 Copper-catalyzed aerobic oxidative intramolecular C-H amination leading
 to imidazobenzimidazole derivatives.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              452
_journal_page_last               455
_journal_paper_doi               10.1021/ol202884z
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C16 H12 Cl N3'
_chemical_formula_sum            'C16 H12 Cl N3'
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_atom_sites_solution_secondary   difmap
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_cell_length_b                   13.2014(10)
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_computing_cell_refinement       'CrystalClear (Rigaku, 2002)'
_computing_data_collection       'CrystalClear (Rigaku, 2004)'
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_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.06
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0010P)^2^+0.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0879
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_reflns_number_total             3112
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_cod_data_source_file            ol202884z_si_001.cif
_cod_data_source_block           wangxq-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1366.95(18)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1503496