Information card for entry 4101804

Structure parameters

• Common name: 2b
• Formula: C28 H36 S6 Si4
• Calculated formula: C28 H36 S6 Si4
• SMILES: C[Si](C)(c1c2c3c(c4c5c6c(c(sc6c6c3c(c(s6)[Si](C)(C)C)s2)[Si](C)(C)C)sc5c(s4)[Si](C)(C)C)s1)C
• 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: 16.522 ± 0.002 Å
• b: 6.2465 ± 0.0008 Å
• c: 16.655 ± 0.002 Å
• α: 90°
• β: 101.261 ± 0.003°
• γ: 90°
• Cell volume: 1685.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No