Information card for entry 1554196

Structure parameters

• Formula: C52 H52 N2 O4
• Calculated formula: C52 H51 N2 O4
• SMILES: O=C1N(C(=O)c2c3c(c4c2c2c1c1c(c2C(=O)N(C4=O)CCCCCCCC)ccc(cc1)c1ccccc1)ccc(cc3)c1ccccc1)CCCCCCCC
• Title of publication: 6,6′-Diaryl-substituted biazulene diimides for solution-processable high-performance n-type organic semiconductors
• Authors of publication: Xin, Hanshen; Li, Jing; Ge, Congwu; Yang, Xiaodi; Xue, Tianrui; Gao, Xike
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 975
• a: 13.3247 ± 0.0007 Å
• b: 16.6349 ± 0.0009 Å
• c: 19.0232 ± 0.0008 Å
• α: 93.227 ± 0.003°
• β: 97.302 ± 0.003°
• γ: 103.143 ± 0.003°
• Cell volume: 4057 ± 0.4 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: 0.1758
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No