Information card for entry 4000352

Structure parameters

• Formula: C32 H22 S2
• Calculated formula: C32 H22 S2
• SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)c1ccccc1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 5.7081 ± 0.0007 Å
• b: 7.6036 ± 0.0003 Å
• c: 52.869 ± 0.007 Å
• α: 90°
• β: 97.147 ± 0.006°
• γ: 90°
• Cell volume: 2276.8 ± 0.4 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No