Information card for entry 7203065

Structure parameters

• Formula: C22 H14 S4
• Calculated formula: C22 H14 S4
• Title of publication: Tetrathia[22]annulene[2,1,2,1]: physical properties, crystal structure and application in organic field-effect transistors
• Authors of publication: Zhao, Tianyue; Wei, Zhongming; Song, Yabin; Xu, Wei; Hu, Wenping; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 4377
• a: 10.9387 ± 0.0011 Å
• b: 11.4172 ± 0.0013 Å
• c: 14.3741 ± 0.0016 Å
• α: 90°
• β: 99.686 ± 0.007°
• γ: 90°
• Cell volume: 1769.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No