Crystallography Open Database

Information card for entry 1574914

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Coordinates	1574914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H16 F8 N2
Calculated formula	C35 H16 F8 N2
Title of publication	Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.
Authors of publication	Hu, Wenbo; Li, Heng; Yuan, Bingxin
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	30
Pages of publication	13794 - 13806
a	9.6606 ± 0.0004 Å
b	15.0395 ± 0.0007 Å
c	18.49 ± 0.0009 Å
α	84.896 ± 0.004°
β	89.124 ± 0.004°
γ	87.16 ± 0.004°
Cell volume	2672.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.2065
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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