Information card for entry 7217621

Structure parameters

• Formula: C40 H34 S4
• Calculated formula: C40 H34 S4
• SMILES: c12ccc(C(c3ccc(cc3)C(C)C)=c3ccc(=CC=c4ccc(=C(c5ccc(cc5)C(C)C)c5ccc(C=C1)s5)s4)s3)s2
• Title of publication: Sulphur bridged [22]annulene[2.1.2.1]s based organic field-effect transistors: Interplay of the steric bulk and charge transport
• Authors of publication: Singh Virk, Tarunpreet; Singh, Kamaljit; Qin, Yunke; Xu, Wei; Zhu, Daoben
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 19.7591 ± 0.0003 Å
• b: 34.5783 ± 0.0004 Å
• c: 9.5257 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6508.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No