Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines
Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng; Green Chem. 18 (2016) 6241–; doi:10.1039/C6GC02396G

data_7226891
_publ_section_title
;
 Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones
 with o-acylanilines: efficient syntheses of acridines
;
_journal_issue                   23
_journal_name_full               'Green Chem.'
_journal_page_first              6241
_journal_paper_doi               10.1039/C6GC02396G
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C19 H17 N'
_chemical_formula_sum            'C19 H17 N'
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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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_audit_update_record
;
2016-08-19 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
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_cell_volume                     693.13(12)
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_probe          x-ray
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_diffrn_reflns_limit_l_min       -11
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_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7223
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       parallelepiped
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_refine_ls_number_reflns         2788
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0689
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0972P)^2^+0.5125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1792
_refine_ls_wR_factor_ref         0.2090
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1834
_reflns_number_total             2788
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6gc02396g2.cif
_cod_data_source_block           int1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7226889--7226892.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7226891
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.982
_shelx_res_checksum              793