Information card for entry 7134342

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 ų
• 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 Fobs: No