Crystallography Open Database

Information card for entry 7058776

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Coordinates	7058776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 F2 N2 O3
Calculated formula	C3 H6 F2 N2 O3
Title of publication	Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts
Authors of publication	Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	38
Pages of publication	15115
a	5.5333 ± 0.0008 Å
b	6.1726 ± 0.0009 Å
c	9.2437 ± 0.0016 Å
α	91.249 ± 0.013°
β	106.658 ± 0.014°
γ	92.337 ± 0.012°
Cell volume	302.03 ± 0.08 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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