Crystallography Open Database

Information card for entry 7134342

Preview

Coordinates	7134342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Br N S
Calculated formula	C15 H12 Br N S
Title of publication	Enhanced emission in a supramolecular artificial light-harvesting system for a photocatalytic thiol–ene reaction
Authors of publication	Sun, Guangping; Li, Menghang; Li, Jiaji; Feng, Jin; Yan, Zhenhao; Sun, Yiwen; Pu, Liangtao; Zhu, Jinli; Tang, Yanfeng; Yao, Yong
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	34
Pages of publication	6360 - 6363
a	7.968 ± 0.005 Å
b	5.187 ± 0.003 Å
c	33.21 ± 0.019 Å
α	90°
β	94.005 ± 0.01°
γ	90°
Cell volume	1369.2 ± 1.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.1115
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2768
Weighted residual factors for all reflections included in the refinement	0.2986
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
300525 (current)	2025-07-06	cif/ Updating files of 7134342 Original log message: Adding full bibliography for 7134342.cif.	7134342.cif
298553	2025-03-22	cif/ Adding structures of 7134342 via cif-deposit CGI script.	7134342.cif