Information card for entry 4502873

Structure parameters

• Formula: C40 H42 Si2
• Calculated formula: C40 H42 Si2
• SMILES: c1(c2ccccc2c2c3c1ccc1c4c(c(c(c31)cc2)C#C[Si](CC)(CC)CC)cccc4)C#C[Si](CC)(CC)CC
• Title of publication: Single Crystal X-ray, AFM, NEXAFS, and OFET Studies on Angular Polycyclic Aromatic Silyl-Capped 7,14-Bis(ethynyl)dibenzo[b,def]chrysenes
• Authors of publication: Burke, Kerry B.; Shu, Ying; Kemppinen, Peter; Singh, Birendra; Bown, Mark; Liaw, Irving I.; Williamson, Rachel M.; Thomsen, Lars; Dastoor, Paul; Belcher, Warwick; Forsyth, Craig; Winzenberg, Kevin N.; Collis, Gavin E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 725
• a: 9.4638 ± 0.0018 Å
• b: 13.389 ± 0.002 Å
• c: 13.149 ± 0.003 Å
• α: 90°
• β: 97.521 ± 0.007°
• γ: 90°
• Cell volume: 1651.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No