Information card for entry 7108618

Structure parameters

• Formula: C40 H41.75 N2 O2 Si2
• Calculated formula: C39.924 H41.848 N2 O1.962 Si2
• Title of publication: Convenient tautomeric forms in an amino-anthraquinone diimine for the generation of a mixed-valent push-pull conjugated polymer
• Authors of publication: Tommy Kenny; Shawkat M. Aly; Daniel Fortin; Pierre D. Harvey
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11543
• a: 15.755 ± 0.006 Å
• b: 10.225 ± 0.008 Å
• c: 23.4 ± 0.011 Å
• α: 90°
• β: 97.72 ± 0.04°
• γ: 90°
• Cell volume: 3735 ± 4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2419
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No