Information card for entry 7217622

Structure parameters

• Formula: C38 H30 S4
• Calculated formula: C38 H30 S4
• SMILES: c12ccc(s1)C=Cc1ccc(s1)C(=c1ccc(=CC=c3ccc(s3)=C2c2ccc(cc2)CC)s1)c1ccc(cc1)CC
• 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: 8.3972 ± 0.0002 Å
• b: 15.4871 ± 0.0004 Å
• c: 11.846 ± 0.0005 Å
• α: 90°
• β: 92.993 ± 0.003°
• γ: 90°
• Cell volume: 1538.45 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No