Crystallography Open Database

Information card for entry 1565315

Preview

Coordinates	1565315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 F9 N O
Calculated formula	C27 H20 F9 N O
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@](C)(c1ccccc1)[C@]1(C(=O)Nc2c1cccc2)c1ccccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@](C)(c1ccccc1)[C@@]1(C(=O)Nc2c1cccc2)c1ccccc1
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	9.4206 ± 0.0004 Å
b	13.3798 ± 0.0005 Å
c	19.6176 ± 0.0008 Å
α	90°
β	100.915 ± 0.002°
γ	90°
Cell volume	2427.98 ± 0.17 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	151 ± 2 K
Number of distinct elements	5
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	0.0452
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
270738 (current)	2021-11-18	cif/ Adding structures of 1565315, 1565316, 1565317 via cif-deposit CGI script.	1565315.cif