Crystallography Open Database

Information card for entry 7064122

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Coordinates	7064122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 N7 O10
Calculated formula	C9 H5 N7 O10
Title of publication	Single-step nitration of N,N′-Bispyrrolylmethane: Polynitro Derivatives as Insensitive Energetic Materials
Authors of publication	Panda, Pradeepta; Shanmugapriya, V.
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	12.7945 ± 0.0004 Å
b	8.7209 ± 0.0003 Å
c	12.6951 ± 0.0003 Å
α	90°
β	108.981 ± 0.001°
γ	90°
Cell volume	1339.49 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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