Crystallography Open Database

Information card for entry 4518924

Preview

Coordinates	4518924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N O3
Calculated formula	C28 H25 N O3
Title of publication	Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates
Authors of publication	Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	10148 - 10158
a	25.0296 ± 0.0003 Å
b	21.4254 ± 0.0003 Å
c	8.35199 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	4478.91 ± 0.11 Å³
Cell temperature	295 ± 0.4 K
Ambient diffraction temperature	295 ± 0.4 K
Number of distinct elements	4
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	0.0556
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267868 (current)	2021-08-01	cif/ Adding structures of 4518924 via cif-deposit CGI script.	4518924.cif