Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.
Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman; Organic & biomolecular chemistry 16 (2018) 8629–8638; doi:10.1039/c8ob02516a

data_7156537
_publ_section_title
;
 Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H
 bond of N,1-diaryl-1H-tetrazol-5-amines and
 N,4-diaryl-4H-triazol-3-amines to quinazolinones.
;
_journal_issue                   44
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8629
_journal_page_last               8638
_journal_paper_doi               10.1039/c8ob02516a
_journal_volume                  16
_journal_year                    2018
_chemical_formula_moiety         'C51 H43 N5 O2 P2 Pd, 2(C H Cl3)'
_chemical_formula_sum            'C53 H45 Cl6 N5 O2 P2 Pd'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-03-27 deposited with the CCDC.
2018-10-25 downloaded from the CCDC.
;
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0627P)^2^+3.2912P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7156537--7156540.cif.'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.867
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