Crystallography Open Database

Information card for entry 1560125

Preview

Coordinates	1560125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 O4
Calculated formula	C24 H20 O4
SMILES	O(C(=O)/C(=C/c1ccccc1)c1c2c(ccc1/C=C/C(=O)OC)cccc2)C
Title of publication	Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation
Authors of publication	Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3726 - 3732
a	8.9924 ± 0.0001 Å
b	19.5139 ± 0.0002 Å
c	23.2425 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4078.52 ± 0.07 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	0.0754
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.578
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
263668 (current)	2021-04-05	cif/ Updating files of 1560125, 1560126 Original log message: Adding full bibliography for 1560125--1560126.cif.	1560125.cif
261094	2021-01-21	cif/ Adding structures of 1560125, 1560126 via cif-deposit CGI script.	1560125.cif