Information card for entry 1519915

Structure parameters

• Formula: C18 H12 S
• Calculated formula: C18 H12 S
• SMILES: s1c2c3ccccc3Cc2c2c1c1c(C2)cccc1
• Title of publication: 10,11-Dihydrodiindeno[1,2-b:2',1'-d]thiophene
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Afonina, Irina; Kanibolotsky, Alexander
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 604
• a: 8.3358 ± 0.0006 Å
• b: 26.3096 ± 0.0017 Å
• c: 5.6923 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248.39 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1586
• 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