Information card for entry 7109189

Structure parameters

• Chemical name: 2,7-bis((trimethylsilyl)ethynyl)cyclopenta[hi]aceanthrylene
• Formula: C28 H26 Si2
• Calculated formula: C28 H26 Si2
• SMILES: C[Si](C)(C#Cc1c2cccc3c2c(c2cccc4c(C#C[Si](C)(C)C)cc3c24)c1)C
• Title of publication: Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene
• Authors of publication: Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4301
• a: 6.1885 ± 0.001 Å
• b: 6.8198 ± 0.0012 Å
• c: 16.531 ± 0.003 Å
• α: 82.438 ± 0.003°
• β: 87.22 ± 0.003°
• γ: 63.216 ± 0.003°
• Cell volume: 617.36 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No