Information card for entry 7043956

Structure parameters

• Chemical name: disilenylmesitylene
• Formula: C34 H62 Si6
• Calculated formula: C34 H62 Si6
• SMILES: [Si]1(=[Si](c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Heteroaryldisilenes: heteroaryl groups serve as electron acceptors for SiSi double bonds in intramolecular charge transfer transitions
• Authors of publication: Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.3903 ± 0.0003 Å
• b: 17.1318 ± 0.0004 Å
• c: 19.8809 ± 0.0005 Å
• α: 90°
• β: 90.966 ± 0.001°
• γ: 90°
• Cell volume: 3878.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No