Information card for entry 1519592

Structure parameters

• Formula: C10 H10 Br2 S3
• Calculated formula: C10 H10 Br2 S3
• SMILES: CCCCC1SC2C(=C(SC=2Br)Br)SC=1
• Title of publication: C10H10Br2S3
• Authors of publication: Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 1006
• a: 7.9737 ± 0.0008 Å
• b: 24.1031 ± 0.0019 Å
• c: 7.8367 ± 0.0007 Å
• α: 90°
• β: 118.41 ± 0.005°
• γ: 90°
• Cell volume: 1324.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No