Information card for entry 1570529

Structure parameters

• Formula: C19 H16 S3 Si
• Calculated formula: C19 H16 S3 Si
• Title of publication: Thia[<i>n</i>]helicenes with long persistent phosphorescence.
• Authors of publication: Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1077 - 1087
• a: 12.8509 ± 0.0002 Å
• b: 12.404 ± 0.0002 Å
• c: 21.802 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3475.29 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No