Crystallography Open Database

Information card for entry 1567549

Preview

Coordinates	1567549.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Hydroxyindolin-2-one
Formula	C8 H7 N O2
Calculated formula	C8 H7 N O2
SMILES	ON1c2c(cccc2)CC1=O
Title of publication	A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle
Authors of publication	Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	37
Pages of publication	11074 - 11082
a	11.8514 ± 0.001 Å
b	30.185 ± 0.003 Å
c	7.533 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2694.8 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278409 (current)	2022-10-07	cif/ Updating files of 1567549, 1567550, 1567551, 1567552 Original log message: Adding full bibliography for 1567549--1567552.cif.	1567549.cif
277507	2022-09-01	cif/ Adding structures of 1567549, 1567550, 1567551, 1567552 via cif-deposit CGI script.	1567549.cif