Information card for entry 1518529

Structure parameters

• Formula: C34 H52 N2 O4 Si6
• Calculated formula: C34 H52 N2 O4 Si6
• SMILES: COC(=O)C(=C\c1ccc(cc1)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)c1ccc(cc1)/C=C(C#N)/C(=O)OC)\C#N
• Title of publication: Increased carrier mobility in end-functionalized oligosilanes
• Authors of publication: Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1905
• a: 8.6514 ± 0.0002 Å
• b: 11.8373 ± 0.0004 Å
• c: 20.4256 ± 0.0006 Å
• α: 82.751 ± 0.003°
• β: 87.339 ± 0.002°
• γ: 86.175 ± 0.002°
• Cell volume: 2068.9 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No