Information card for entry 1520491

Structure parameters

• Formula: C60 H74 N4 O4
• Calculated formula: C60 H74 N4 O4
• SMILES: O=C1N(C(=O)c2cc3cc4c5c(C(=C(C#N)C#N)c4cc3cc12)cc1cc2C(=O)N(C(=O)c2cc1c5)C[C@H](CCCCCC)CCCCCCCC)C[C@@H](CCCCCC)CCCCCCCC
• Title of publication: Solution-Processable n-Type Organic Semiconductors Based on Angular-Shaped 2-(12H-Dibenzofluoren-12-ylidene)malononitrilediimide.
• Authors of publication: Xia, Debin; Marszalek, Tomasz; Li, Mengmeng; Guo, Xin; Baumgarten, Martin; Pisula, Wojciech; Müllen, Klaus
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3074 - 3077
• a: 11.2497 ± 0.0008 Å
• b: 12.373 ± 0.0009 Å
• c: 20.0241 ± 0.0015 Å
• α: 95.185 ± 0.002°
• β: 106.067 ± 0.002°
• γ: 94.622 ± 0.002°
• Cell volume: 2651.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.3286
• Residual factor for significantly intense reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.3364
• Weighted residual factors for all reflections included in the refinement: 0.4384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No