Crystallography Open Database

Information card for entry 7240053

Preview

Coordinates	7240053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O4
Calculated formula	C20 H19 N O4
SMILES	O(C1N(c2c(C1=O)cccc2)C(=O)C)C(=O)c1c(cc(cc1C)C)C
Title of publication	Direct C(sp3)‒H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI
Authors of publication	Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	8
Pages of publication	2354 - 2358
a	8.4606 ± 0.0004 Å
b	16.9137 ± 0.0008 Å
c	35.129 ± 0.003 Å
α	90°
β	90.02 ± 0.02°
γ	90°
Cell volume	5027 ± 0.5 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257581 (current)	2020-10-06	cif/ Updating files of 7240053 Original log message: Adding full bibliography for 7240053.cif.	7240053.cif
251673	2020-05-05	cif/ Updating files of 7240053 Original log message: Adding full bibliography for 7240053.cif.	7240053.cif
249068	2020-03-05	cif/ Adding structures of 7240053 via cif-deposit CGI script.	7240053.cif