Information card for entry 7204997

Structure parameters

• Formula: C16 H16 S8
• Calculated formula: C16 H16 S8
• SMILES: S1C#CSCCSC#CSCCSC#CSCCSC#CSCC1
• Title of publication: Cyclic thiatetraynes: syntheses and structural properties
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 72
• a: 11.6465 ± 0.0004 Å
• b: 9.3011 ± 0.0003 Å
• c: 10.0017 ± 0.0004 Å
• α: 90°
• β: 101.196 ± 0.001°
• γ: 90°
• Cell volume: 1062.82 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1101
• 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: No
• Has Fobs: No