Information card for entry 4101806

Structure parameters

• Common name: 5
• Formula: C10 H10 S2 Si
• Calculated formula: C10 H10 S2 Si
• Title of publication: Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties
• Authors of publication: Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1066 - 1074
• a: 13.186 ± 0.003 Å
• b: 12.994 ± 0.003 Å
• c: 6.7057 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1148.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No