Crystallography Open Database

Information card for entry 7237138

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Coordinates	7237138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 N8 O4
Calculated formula	C7 H6 N8 O4
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	9.6012 ± 0.0004 Å
b	11.5875 ± 0.0005 Å
c	9.794 ± 0.0004 Å
α	90°
β	96.837 ± 0.002°
γ	90°
Cell volume	1081.87 ± 0.08 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	0.0722
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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