Information card for entry 7150649

Structure parameters

• Formula: C106 H138 N12 O4
• Calculated formula: C106 H138 N12 O4
• SMILES: CC1(CCC2(CCC3(CCC4(CCC5(CCC6(C)N(C)c7cccc8cccc(N6C)c78)N(C)c6cccc7cccc(N5C)c67)N(C)c5cccc6cccc(N4C)c56)N(C)c4cccc5cccc(N3C)c45)N(C)c3cccc4cccc(c34)N2C)N(C)c2cccc3c2c(N1C)ccc3.O(CC)CC.O(CC)CC.O(CC)CC.O(CC)CC
• 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: 8.6359 ± 0.0007 Å
• b: 40.315 ± 0.008 Å
• c: 13.478 ± 0.003 Å
• α: 90°
• β: 107.581 ± 0.01°
• γ: 90°
• Cell volume: 4473.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No