Crystallography Open Database

Information card for entry 7063478

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Coordinates	7063478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N7 O2
Calculated formula	C7 H7 N7 O2
Title of publication	Synthesis of novel insensitive heat-resistant explosive based on the fused-tricyclic skeleton
Authors of publication	jin, gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	6.7579 ± 0.0003 Å
b	8.4422 ± 0.0004 Å
c	16.3524 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	932.93 ± 0.07 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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	0.0442
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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