Crystallography Open Database

Information card for entry 4038650

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Coordinates	4038650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 O
Calculated formula	C10 H14 O
Title of publication	Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
Authors of publication	Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	12.2177 ± 0.0004 Å
b	12.0514 ± 0.0004 Å
c	12.2819 ± 0.0004 Å
α	90°
β	90.36 ± 0.001°
γ	90°
Cell volume	1808.36 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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