Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming; Organic & biomolecular chemistry 16 (2018) 8034–8037; doi:10.1039/c8ob02155d

data_7156506
_publ_section_title
;
 Tetracyclic pyrazine-fused furazans as insensitive energetic materials:
 syntheses, structures, and properties.
;
_journal_issue                   43
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8034
_journal_page_last               8037
_journal_paper_doi               10.1039/c8ob02155d
_journal_volume                  16
_journal_year                    2018
_chemical_formula_moiety         'C6 H6 N8 O2'
_chemical_formula_sum            'C6 H6 N8 O2'
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_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-08-30 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;
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_cell_volume                     805.23(19)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+0.5561P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                490
_reflns_number_total             738
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ob02155d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7156506--7156508.cif.'
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_shelx_estimated_absorpt_t_min   0.980
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_shelx_res_checksum              3136