Information card for entry 4514455

Structure parameters

• Formula: C18 H14 N2 S4
• Calculated formula: C18 H14 N2 S4
• SMILES: c12c3c(c4c(n3CC)ccs4)sc1c1c(c3c(n1CC)ccs3)s2
• 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: 8.5058 ± 0.0002 Å
• b: 13.0542 ± 0.0003 Å
• c: 7.9663 ± 0.0002 Å
• α: 90°
• β: 104.207 ± 0.003°
• γ: 90°
• Cell volume: 857.5 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No