Crystallography Open Database

Information card for entry 7134268

Preview

Coordinates	7134268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 N2 O3 S2 Se
Calculated formula	C29 H24 N2 O3 S2 Se
Title of publication	Photochemical aerobic sulfonylation-cyclization-selenylation to indole-fused medium-sized N-heterocycles in 2-Me-THF.
Authors of publication	Shi, Tongtong; Tian, Miao; Sun, Zongfei; Zou, Ruixiao; Zhang, Zexuan; Xie, Na; Hao, Erjun; Xu, Xinming; Sun, Kai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	4066 - 4069
a	8.5751 ± 0.0004 Å
b	15.3208 ± 0.0007 Å
c	20.3759 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2676.9 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0928
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2245
Weighted residual factors for all reflections included in the refinement	0.2428
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
298773 (current)	2025-04-05	cif/ Updating files of 7134268 Original log message: Adding full bibliography for 7134268.cif.	7134268.cif
297764	2025-02-20	cif/ Adding structures of 7134268 via cif-deposit CGI script.	7134268.cif