Crystallography Open Database

Information card for entry 8000200

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Structure parameters

Formula	C14 H3 F7 O2
Calculated formula	C14 H3 F7 O2
SMILES	c12c(C(=O)c3c1c(c(c(c3F)F)F)F)c(c(c(c2F)F)F)OC
Title of publication	Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes
Authors of publication	Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.
Journal of publication	The Journal of Physical Chemistry Letters
Year of publication	2014
Journal volume	5
Journal issue	9
Pages of publication	1560
a	4.4782 ± 0.0004 Å
b	11.8813 ± 0.001 Å
c	21.849 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1162.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1131
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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