Information card for entry 7043955

Structure parameters

• Chemical name: Bis(disilenyl)bithiophene
• Formula: C78 H146 O4 S2 Si12
• Calculated formula: C78 H146 O4 S2 Si12
• 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: 16.03 ± 0.003 Å
• b: 30.312 ± 0.006 Å
• c: 9.521 ± 0.002 Å
• α: 90°
• β: 93.418 ± 0.003°
• γ: 90°
• Cell volume: 4618 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1175
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No