Crystallography Open Database

Information card for entry 1574362

Preview

Coordinates	1574362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 O2
Calculated formula	C22 H24 O2
SMILES	O1CC(=CC[C@@H]1C(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
Title of publication	Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis
Authors of publication	Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	18
Pages of publication	8108 - 8113
a	7.7868 ± 0.0001 Å
b	10.9259 ± 0.0002 Å
c	21.3967 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1820.38 ± 0.05 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 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	0.096
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300646 (current)	2025-07-06	cif/ Updating files of 1574362 Original log message: Adding full bibliography for 1574362.cif.	1574362.cif
299216	2025-04-09	cif/ Adding structures of 1574362 via cif-deposit CGI script.	1574362.cif