Information card for entry 7131003

Structure parameters

• Formula: C17 H10 F N O S
• Calculated formula: C17 H10 F N O S
• SMILES: s1c(C(=O)n2c3c(c4c2cccc4)cccc3)c(F)cc1
• 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: 18.9441 ± 0.0017 Å
• b: 5.3279 ± 0.0005 Å
• c: 13.3123 ± 0.001 Å
• α: 90°
• β: 98.087 ± 0.008°
• γ: 90°
• Cell volume: 1330.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No