Crystallography Open Database

Information card for entry 7132067

7132066 << 7132067 >> 7132068

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Coordinates	7132067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 F6 N
Calculated formula	C16 H9 F6 N
SMILES	FC(F)(C(F)(F)c1ccc(cc1)C#N)C(F)(F)c1ccccc1
Title of publication	Difluoromethylene Insertion into Fluoroalkyl Copper Complexes
Authors of publication	Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke
Journal of publication	Chemical Communications
Year of publication	2023
a	11.2311 ± 0.0005 Å
b	9.9935 ± 0.0003 Å
c	13.5768 ± 0.0006 Å
α	90°
β	113.826 ± 0.005°
γ	90°
Cell volume	1393.97 ± 0.11 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0433
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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