Crystallography Open Database

Information card for entry 1571816

Preview

Coordinates	1571816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O4
Calculated formula	C16 H18 O4
Title of publication	Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.
Authors of publication	Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	28
Pages of publication	11038 - 11042
a	7.0614 ± 0.0003 Å
b	10.6993 ± 0.0004 Å
c	18.6749 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1410.93 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0519
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
293748 (current)	2024-08-05	cif/ Updating files of 1571816, 1571817 Original log message: Adding full bibliography for 1571816--1571817.cif.	1571816.cif
292323	2024-06-13	cif/ Adding structures of 1571816, 1571817 via cif-deposit CGI script.	1571816.cif