Information card for entry 2203348

Structure parameters

• Chemical name: Diacenaphtheno[7,8-b:7^1^,8^1^-d]thiophene
• Formula: C24 H12 S
• Calculated formula: C24 H12 S
• SMILES: c1cc2cccc3c2c(c1)c1c2c(sc31)c1c3c2cccc3ccc1
• Title of publication: Diacenaphtheno[7,8-<i>b</i>:7^1^,8^1^-<i>d</i>]thiophene
• Authors of publication: Oliver C. Musgrave; Janet M. S. Skakle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o359 - o360
• a: 15.0815 ± 0.001 Å
• b: 3.8941 ± 0.0003 Å
• c: 26.0597 ± 0.0016 Å
• α: 90°
• β: 98.498 ± 0.002°
• γ: 90°
• Cell volume: 1513.65 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes