Crystallography Open Database

Information card for entry 7237137

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Coordinates	7237137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 N8 O8
Calculated formula	C9 H6 N8 O8
Title of publication	Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Authors of publication	Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	18
Pages of publication	8382
a	9.4365 ± 0.001 Å
b	11.5612 ± 0.0012 Å
c	12.9442 ± 0.0014 Å
α	90°
β	92.305 ± 0.003°
γ	90°
Cell volume	1411 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0789
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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