Information card for entry 7043954

Structure parameters

• Chemical name: disilenylacridine
• Formula: C38 H59 N Si6
• Calculated formula: C38 H59 N Si6
• SMILES: [Si]1(=[Si](c2c3ccccc3nc3c2cccc3)c2c(cc(cc2C)C)C)C(CCC1([Si](C)(C)C)[Si](C)(C)C)([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: 12.2262 ± 0.0011 Å
• b: 16.6001 ± 0.0016 Å
• c: 20.356 ± 0.0019 Å
• α: 90°
• β: 103.668 ± 0.001°
• γ: 90°
• Cell volume: 4014.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No