Information card for entry 7110193

Structure parameters

• Formula: C30 H34 N2 O2 Si2
• Calculated formula: C30 H34 N2 O2 Si2
• SMILES: CN(c1ccc(cc1)C#C[Si](C)(C)C)C1=CC(=O)C(=CC1=O)N(C)c1ccc(cc1)C#C[Si](C)(C)C
• Title of publication: Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline
• Authors of publication: Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 350
• a: 12.4957 ± 0.0005 Å
• b: 22.4434 ± 0.0008 Å
• c: 11.2136 ± 0.0004 Å
• α: 90°
• β: 113.21 ± 0.001°
• γ: 90°
• Cell volume: 2890.29 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No