Information card for entry 7043953

Structure parameters

• Chemical name: disilenylanthracene
• Formula: C43 H70 O2 Si6
• Calculated formula: C43 H70 O2 Si6
• SMILES: [Si]1(=[Si](c2c(cc(cc2C)C)C)c2c3ccccc3cc3ccccc23)C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.COCCOC
• 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: 11.4296 ± 0.0011 Å
• b: 13.7384 ± 0.0013 Å
• c: 15.2495 ± 0.0015 Å
• α: 77.09 ± 0.001°
• β: 82.336 ± 0.001°
• γ: 79.225 ± 0.001°
• Cell volume: 2282.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No