Information card for entry 4000354

Structure parameters

• Formula: C40 H26 S4
• Calculated formula: C40 H26 S4
• SMILES: c1ccc(cc1)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)c1ccccc1
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 5.6824 ± 0.0007 Å
• b: 7.585 ± 0.0005 Å
• c: 67.907 ± 0.006 Å
• α: 90°
• β: 91.475 ± 0.005°
• γ: 90°
• Cell volume: 2925.9 ± 0.5 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.957
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No