Crystallography Open Database

Information card for entry 7160343

Preview

Coordinates	7160343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N2 O2 Se
Calculated formula	C29 H26 N2 O2 Se
Title of publication	FeCl<sub>3</sub>-catalyzed oxidative diselenylation of pyrrole-tethered indoles.
Authors of publication	Zhou, Jing; Sheng, Xue; Jiang, Man; Cui, Hai-Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	9
Pages of publication	2254 - 2262
a	9.712 ± 0.0003 Å
b	9.712 ± 0.0003 Å
c	50.789 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4790.6 ± 0.4 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
299119 (current)	2025-04-05	cif/ Updating files of 7160342, 7160343 Original log message: Adding full bibliography for 7160342--7160343.cif.	7160343.cif
297431	2025-01-23	cif/ Adding structures of 7160342, 7160343 via cif-deposit CGI script.	7160343.cif