Crystallography Open Database

Information card for entry 7135606

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Coordinates	7135606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 F8 N4
Calculated formula	C10 H12 F8 N4
Title of publication	Direct NF<sub>2</sub> functionalization of ketones: a mild strategy for accessing high-performance gem-difluoroamino compounds.
Authors of publication	Wang, Yuehui; Wen, Lele; Ling, Lin; Xing, Chunhui; Lu, Long
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	19
Pages of publication	5429 - 5432
a	7.4094 ± 0.0004 Å
b	7.8335 ± 0.0004 Å
c	21.8556 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1268.53 ± 0.11 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0725
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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