Information card for entry 4104291

Structure parameters

• Formula: C34 H58 Si6
• Calculated formula: C34 H58 Si6
• SMILES: [Si]1(=[Si](c2c3c(cccc3)cc3c2cccc3)C(C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• 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: 22.011 ± 0.006 Å
• b: 11.173 ± 0.003 Å
• c: 15.114 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3717 ± 1.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No