Information card for entry 1518526

Structure parameters

• Chemical name: methyl (E)-2-cyano-3-(p-tolyl)acrylate
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: Cc1ccc(cc1)/C=C(C#N)/C(=O)OC
• 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: 4.00444 ± 0.00019 Å
• b: 11.1381 ± 0.0006 Å
• c: 12.202 ± 0.0007 Å
• α: 71.955 ± 0.005°
• β: 89.514 ± 0.004°
• γ: 80.992 ± 0.004°
• Cell volume: 510.62 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No