Crystallography Open Database

Information card for entry 7059603

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Coordinates	7059603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 N5 O5
Calculated formula	C3 H3 N5 O5
Title of publication	Exploration of low-melting energetic compounds: influence of substituents on melting points
Authors of publication	Yang, Rui; Dong, Zhen; Ye, Zhiwen
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	32
Pages of publication	13576 - 13583
a	6.4603 ± 0.0008 Å
b	10.1472 ± 0.0009 Å
c	10.7225 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	702.9 ± 0.13 Å³
Cell temperature	151.88 K
Ambient diffraction temperature	151.88 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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