Crystallography Open Database

Information card for entry 7235854

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Coordinates	7235854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 N10 O13
Calculated formula	C6 H6 N10 O13
Title of publication	A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance
Authors of publication	Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin
Journal of publication	Journal of Materials Chemistry A
Year of publication	2015
Journal volume	3
Journal issue	15
Pages of publication	8156
a	11.757 ± 0.002 Å
b	12.192 ± 0.002 Å
c	21.542 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3087.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0717
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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