Crystallography Open Database

Information card for entry 7237139

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Coordinates	7237139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 N8 O4
Calculated formula	C6 H4 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	12.326 ± 0.005 Å
b	6.678 ± 0.003 Å
c	12.126 ± 0.005 Å
α	90°
β	104.517 ± 0.011°
γ	90°
Cell volume	966.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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