5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives
Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.; New Journal of Chemistry 43 (2019) 12684–; doi:10.1039/C9NJ03306H

data_7058681
_publ_section_title
;
 5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from
 green primary to secondary explosives
;
_journal_issue                   32
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12684
_journal_paper_doi               10.1039/C9NJ03306H
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C3 N9 O2, H4 N'
_chemical_formula_sum            'C3 H4 N10 O2'
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_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-15 deposited with the CCDC.    2019-07-19 downloaded from the CCDC.
;
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;
Bruker SAINT v8.34A (Bruker, 2013), Bruker XPREP v2014/2 (Bruker, 2014)
;
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'SHELXL-2014/7 (Sheldrick, 2014) within WINGX (Farrugia, 2012)'
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_exptl_crystal_colour            colourless
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_exptl_crystal_F_000             432
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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^)+(0.0325P)^2^+0.2522P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                1755
_reflns_number_total             1849
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7058680--7058683.cif.'
_cod_database_code               7058681
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.927
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              40886