Information card for entry 1502202

Structure parameters

• Formula: C43 H51 Br2 N Si2
• Calculated formula: C43 H51 Br2 N Si2
• SMILES: Brc1cc2cc3c(c4cc5cccnc5cc4c(c3cc2cc1Br)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis of tetrachloro-azapentacene as an ambipolar organic semiconductor with high and balanced carrier mobilities.
• Authors of publication: Song, Cheng-Li; Ma, Chong-Bo; Yang, Feng; Zeng, Wei-Jing; Zhang, Hao-Li; Gong, Xiong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 2880 - 2883
• a: 8.054 ± 0.007 Å
• b: 15.351 ± 0.013 Å
• c: 17.569 ± 0.015 Å
• α: 78.327 ± 0.016°
• β: 87.401 ± 0.017°
• γ: 88.636 ± 0.014°
• Cell volume: 2125 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3335
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2607
• 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: Yes
• Has Fobs: No