Information card for entry 1518527

Structure parameters

• Formula: C38 H48 N2 O4
• Calculated formula: C38 H48 N2 O4
• SMILES: CCCCCCOC(=O)C(=C\c1ccc(cc1)CCCCCCc1ccc(cc1)/C=C(C#N)/C(=O)OCCCCCC)\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: 14.93217 ± 0.00016 Å
• b: 14.22602 ± 0.00015 Å
• c: 15.93712 ± 0.00017 Å
• α: 90°
• β: 100.89 ± 0.001°
• γ: 90°
• Cell volume: 3324.49 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0935
• 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