Information card for entry 7131002

Structure parameters

• Formula: C17 H10 Br N O S
• Calculated formula: C17 H10 Br N O S
• Title of publication: Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization
• Authors of publication: Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.8966 ± 0.0004 Å
• b: 7.7464 ± 0.0004 Å
• c: 23.3386 ± 0.0011 Å
• α: 90°
• β: 96.192 ± 0.002°
• γ: 90°
• Cell volume: 1419.3 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0588
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No