Crystallography Open Database

Information card for entry 1565316

Preview

Coordinates	1565316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 Cl F9 N O2
Calculated formula	C30 H23 Cl F9 N O2
SMILES	Clc1cc2NC(=O)[C@](c2cc1)(c1cccc(OC)c1)[C@@]1(CCCc2c1cccc2)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.Clc1cc2NC(=O)[C@@](c2cc1)(c1cc(OC)ccc1)[C@]1(CCCc2c1cccc2)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Title of publication	Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling
Authors of publication	Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke
Journal of publication	Chemical Science
Year of publication	2021
a	12.6563 ± 0.0009 Å
b	14.4425 ± 0.0011 Å
c	16.7878 ± 0.0012 Å
α	114.164 ± 0.002°
β	91.725 ± 0.002°
γ	103.585 ± 0.002°
Cell volume	2693.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1565316.cif
270738	2021-11-18	cif/ Adding structures of 1565315, 1565316, 1565317 via cif-deposit CGI script.	1565316.cif