Crystallography Open Database

Information card for entry 7157635

Preview

Coordinates	7157635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 N O2
Calculated formula	C9 H9 N O2
Title of publication	Oxidative trimerization of indoles via water-assisted visible-light photoredox catalysis and the study of their anti-cancer activities.
Authors of publication	Cheng, Li-Ting; Luo, Sheng-Qi; Hong, Bor-Cherng; Chen, Chia-Ling; Li, Wen-Shan; Lee, Gene-Hsiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	32
Pages of publication	6247 - 6252
a	14.1319 ± 0.0005 Å
b	3.8682 ± 0.0001 Å
c	15.5153 ± 0.0005 Å
α	90°
β	110.946 ± 0.001°
γ	90°
Cell volume	792.1 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
256164 (current)	2020-09-06	cif/ Updating files of 7157631, 7157632, 7157633, 7157634, 7157635 Original log message: Adding full bibliography for 7157631--7157635.cif.	7157635.cif
254667	2020-07-30	cif/ Adding structures of 7157631, 7157632, 7157633, 7157634, 7157635 via cif-deposit CGI script.	7157635.cif