N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design
Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.; Organic Chemistry Frontiers 6 (2019) 249–; doi:10.1039/C8QO01173G

data_1554531
_publ_section_title
;
 N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse
 explosophoric building blocks for energetic compound design
;
_journal_issue                   2
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              249
_journal_paper_doi               10.1039/C8QO01173G
_journal_volume                  6
_journal_year                    2019
_chemical_formula_moiety         'C5 H4 F N5 O6'
_chemical_formula_sum            'C5 H4 F N5 O6'
_chemical_formula_weight         249.13
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2018-10-20 deposited with the CCDC.
2018-12-03 downloaded from the CCDC.
;
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_computing_publication_material
'SHELXL-2014/6 (Sheldrick, 2014) and PLATON (Spek, 2009)'
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_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+0.6922P] where P=(Fo^2^+2Fc^2^)/3'
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