Information card for entry 1517779

Structure parameters

• Formula: C34 H20 O4 S4
• Calculated formula: C34 H20 O4 S4
• SMILES: C1(SC(=C(S1)c1ccc(cc1)C=O)c1ccc(cc1)C=O)=C1SC(=C(S1)c1ccc(cc1)C=O)c1ccc(cc1)C=O
• Title of publication: Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework
• Authors of publication: Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4693
• a: 9.059 ± 0.0012 Å
• b: 11.3961 ± 0.0016 Å
• c: 15.78 ± 0.002 Å
• α: 68.8889 ± 0.0016°
• β: 79.0989 ± 0.0017°
• γ: 67.1611 ± 0.0016°
• Cell volume: 1398.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No