Information card for entry 4101807

Structure parameters

• Common name: 7
• Formula: C8 H4 S3
• Calculated formula: C8 H4 S3
• SMILES: s1c2c(c3cscc13)csc2
• 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: 9.037 ± 0.004 Å
• b: 5.959 ± 0.002 Å
• c: 15.129 ± 0.006 Å
• α: 90°
• β: 97.172 ± 0.006°
• γ: 90°
• Cell volume: 808.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No