Crystallography Open Database

Information card for entry 4063368

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Coordinates	4063368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 F5 O4
Calculated formula	C13 H7 F5 O4
SMILES	Fc1c(c(F)c(F)c(F)c1F)C1(O)OC(=C(C1=O)C(=O)C)C
Title of publication	Arylglyoxylrhodium Complexes, Their Thermolysis, and Attempted Generation by Carbonylation of an Aroylrhodium Complex
Authors of publication	Kashiwabara, Taigo; Tanaka, Masato
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	239 - 244
a	9.6666 ± 0.0017 Å
b	15.015 ± 0.003 Å
c	17.43 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2529.9 ± 0.8 Å³
Cell temperature	113.1 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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