Crystallography Open Database

Information card for entry 7063479

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Coordinates	7063479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 N7 O2
Calculated formula	C6 H5 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	6.3809 ± 0.0006 Å
b	10.3716 ± 0.0008 Å
c	12.1362 ± 0.001 Å
α	90°
β	91.201 ± 0.006°
γ	90°
Cell volume	803 ± 0.12 Å³
Cell temperature	233 K
Ambient diffraction temperature	233 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	0.0789
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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