Information card for entry 1520270

Structure parameters

• Formula: C26 H12 S8
• Calculated formula: C26 H12 S8
• Title of publication: C26H12S8
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 412
• a: 3.9246 ± 0.0001 Å
• b: 16.0687 ± 0.0005 Å
• c: 17.4699 ± 0.0004 Å
• α: 90°
• β: 90.825 ± 0.002°
• γ: 90°
• Cell volume: 1101.59 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No