Crystallography Open Database

Information card for entry 7063476

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Coordinates	7063476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 N8 O2
Calculated formula	C5 H4 N8 O2
Title of publication	Synthesis of novel insensitive heat-resistant explosive based on the fused-tricyclic skeleton
Authors of publication	jin, gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	6.3057 ± 0.0002 Å
b	9.752 ± 0.0003 Å
c	13.073 ± 0.0004 Å
α	90°
β	94.8 ± 0.002°
γ	90°
Cell volume	801.08 ± 0.04 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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