Crystallography Open Database

Information card for entry 4029532

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Coordinates	4029532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 F3 O2
Calculated formula	C20 H17 F3 O2
Title of publication	Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.
Authors of publication	Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	12
Pages of publication	5484 - 5493
a	7.5685 ± 0.0002 Å
b	28.8622 ± 0.0005 Å
c	8.1132 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1772.28 ± 0.06 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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