Information card for entry 4515133

Structure parameters

• Formula: C24 H24 S8
• Calculated formula: C24 H24 S8
• SMILES: c12ccc(c3ccc(s3)SCCCCSc3ccc(c4ccc(s4)SCCCCS1)s3)s2
• Title of publication: Synthesis of Tetrathia-Oligothiophene Macrocycles.
• Authors of publication: Press, David J.; Gendy, Chris; Pasalkar, Samruddhi; Schechtel, Shauna; Heyne, Belinda; Sutherland, Todd C.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 3405 - 3408
• a: 10.5885 ± 0.0007 Å
• b: 6.1624 ± 0.0004 Å
• c: 23.953 ± 0.0016 Å
• α: 90°
• β: 94.492 ± 0.001°
• γ: 90°
• Cell volume: 1558.15 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No