Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group.
Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan; Organic letters 18 (2016) 448–451; doi:10.1021/acs.orglett.5b03493

data_1542689
_publ_section_title
;
 Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H
 Nitration of Anilines Using Pyrimidine as a Removable Directing Group.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              448
_journal_page_last               451
_journal_paper_doi               10.1021/acs.orglett.5b03493
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C11 H10 N4 O3'
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_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          .12
_exptl_crystal_size_min          .09
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_refine_diff_density_min         -0.227
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_refine_ls_matrix_type           full
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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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1926
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_reflns_number_gt                1502
_reflns_number_total             3258
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol5b03493_si_002.cif
_cod_data_source_block           L3
_cod_original_cell_volume        2216.7(5)
_cod_database_code               1542689
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