Information card for entry 1519257

Structure parameters

• Formula: C10 H8 S2
• Calculated formula: C10 H8 S2
• SMILES: s1cc(cc1)/C=C/c1cscc1
• Title of publication: C10H8S2
• Authors of publication: Murphy, Patrick J.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 733
• a: 7.4172 ± 0.0004 Å
• b: 21.242 ± 0.0006 Å
• c: 5.6592 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 891.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No