Crystallography Open Database

Information card for entry 7059606

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Coordinates	7059606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 N4 O3
Calculated formula	C3 H4 N4 O3
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	8.6101 ± 0.0008 Å
b	6.402 ± 0.0007 Å
c	10.0437 ± 0.0009 Å
α	90°
β	93.826 ± 0.004°
γ	90°
Cell volume	552.39 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 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	0.0529
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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