Crystallography Open Database

Information card for entry 7156333

Preview

Coordinates	7156333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N3 O3
Calculated formula	C23 H17 N3 O3
Title of publication	CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.
Authors of publication	Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	31
Pages of publication	5699 - 5706
a	10.7906 ± 0.0006 Å
b	10.2626 ± 0.0005 Å
c	17.5715 ± 0.0009 Å
α	90°
β	102.945 ± 0.003°
γ	90°
Cell volume	1896.41 ± 0.17 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0617
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
230813 (current)	2019-11-17	cif/ Updating files of 7156332, 7156333 Original log message: Adding full bibliography for 7156332--7156333.cif.	7156333.cif
209227	2018-07-24	cif/ Adding structures of 7156332, 7156333 via cif-deposit CGI script.	7156333.cif