Information card for entry 1570530

Structure parameters

• Formula: C15 H14 S3 Si
• Calculated formula: C15 H14 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: 7.373 ± 0.004 Å
• b: 8.088 ± 0.005 Å
• c: 14.38 ± 0.008 Å
• α: 94.58 ± 0.02°
• β: 99.657 ± 0.016°
• γ: 114.95 ± 0.02°
• Cell volume: 755.5 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No