Crystallography Open Database

Information card for entry 7135605

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Coordinates	7135605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 F12 N6
Calculated formula	C12 H12 F12 N6
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	9.608 ± 0.0001 Å
b	9.0002 ± 0.0001 Å
c	20.4814 ± 0.0003 Å
α	90°
β	95.068 ± 0.001°
γ	90°
Cell volume	1764.18 ± 0.04 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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