Information card for entry 7150647

Structure parameters

• Formula: C46.2 H51.2 Cl3.6 N6
• Calculated formula: C45 H26 N6
• Title of publication: Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups
• Authors of publication: Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 2704 - 2715
• a: 30.277 ± 0.004 Å
• b: 30.277 ± 0.004 Å
• c: 25.361 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23248 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.2136
• Residual factor for significantly intense reflections: 0.1808
• Weighted residual factors for significantly intense reflections: 0.4508
• Weighted residual factors for all reflections included in the refinement: 0.4742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.629
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No