Information card for entry 4104289

Structure parameters

• Formula: C30 H56 Si6
• Calculated formula: C30 H56 Si6
• SMILES: [Si](=[Si]1C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C(C)(C)C)c1cccc2ccccc12
• Title of publication: Anthryl-Substituted Trialkyldisilene Showing Distinct Intramolecular Charge-Transfer Transition
• Authors of publication: Takeaki Iwamoto; Maiko Kobayashi; Kei Uchiyama; Shin Sasaki; Selvarajan Nagendran; Hiroyuki Isobe; Mitsuo Kira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3156 - 3157
• a: 9.543 ± 0.003 Å
• b: 11.132 ± 0.004 Å
• c: 17.869 ± 0.006 Å
• α: 94.962 ± 0.004°
• β: 92.843 ± 0.004°
• γ: 111.105 ± 0.004°
• Cell volume: 1757.6 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No