Crystallography Open Database

Information card for entry 7125901

Preview

Coordinates	7125901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 F3 O7
Calculated formula	C23 H25 F3 O7
Title of publication	Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.
Authors of publication	Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	20
Pages of publication	3031 - 3034
a	8.6848 ± 0.0003 Å
b	9.8256 ± 0.0003 Å
c	13.1255 ± 0.0005 Å
α	84.786 ± 0.003°
β	88.888 ± 0.003°
γ	89.989 ± 0.003°
Cell volume	1115.2 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.061
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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