Crystallography Open Database

Information card for entry 4132444

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Coordinates	4132444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 F3 O10
Calculated formula	C15 H19 F3 O10
Title of publication	Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent.
Authors of publication	Zhou, Min; Ni, Chuanfa; Zeng, Yuwen; Hu, Jinbo
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	22
Pages of publication	6801 - 6805
a	18.829 ± 0.0008 Å
b	5.8347 ± 0.0003 Å
c	18.4856 ± 0.0008 Å
α	90°
β	98.902 ± 0.002°
γ	90°
Cell volume	2006.39 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2193
Weighted residual factors for all reflections included in the refinement	0.2338
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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