Information card for entry 2006124

Structure parameters

• Chemical name: Bis[2-(triphenylsilyl)phenyl] Disulphide
• Formula: C48 H38 S2 Si2
• Calculated formula: C48 H38 S2 Si2
• SMILES: S(Sc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Bis[2-(triphenylsilyl)phenyl] Disulfide
• Authors of publication: Miller, John R.; Lu, Canzhong; Zheng, Yifan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 654 - 655
• a: 9.276 ± 0.006 Å
• b: 9.879 ± 0.006 Å
• c: 22.499 ± 0.013 Å
• α: 92.54 ± 0.04°
• β: 95.08 ± 0.04°
• γ: 102.67 ± 0.04°
• Cell volume: 1999 ± 2 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.1018
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No