Crystallography Open Database

Information card for entry 1566369

Preview

Coordinates	1566369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 O3
Calculated formula	C19 H24 O3
SMILES	OC[C@H](c1cc(c(cc1)CO)C)C[C@H](O)c1ccc(cc1)C
Title of publication	Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.
Authors of publication	Wang, Jianhua; Li, Xiaoxun
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	10
Pages of publication	3020 - 3026
a	9.16551 ± 0.00016 Å
b	10.4822 ± 0.0002 Å
c	17.5734 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1688.36 ± 0.06 Å³
Cell temperature	293 ± 0.02 K
Ambient diffraction temperature	293 ± 0.02 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274965 (current)	2022-05-05	cif/ Updating files of 1566369 Original log message: Adding full bibliography for 1566369.cif.	1566369.cif
273010	2022-02-18	cif/ Adding structures of 1566369 via cif-deposit CGI script.	1566369.cif