Crystallography Open Database

Information card for entry 7236128

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Coordinates	7236128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 N8 O7
Calculated formula	C5 H4 N8 O7
Title of publication	C‒N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability
Authors of publication	Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	10
Pages of publication	3879
a	16.562 ± 0.009 Å
b	5.114 ± 0.003 Å
c	25.032 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	2120 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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