Information card for entry 4514456

Structure parameters

• Formula: C30 H38 N2 S4
• Calculated formula: C30 H38 N2 S4
• SMILES: s1c2c(c3n(c4c(c13)scc4)C[C@H](CC)CCCC)sc1c2n(c2c1scc2)C[C@@H](CC)CCCC
• Title of publication: Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.
• Authors of publication: Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 21756 - 21765
• a: 14.263 ± 0.003 Å
• b: 5.4465 ± 0.0011 Å
• c: 19.286 ± 0.003 Å
• α: 90°
• β: 99.215 ± 0.014°
• γ: 90°
• Cell volume: 1478.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1518
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.3379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No