Information card for entry 7202635

Structure parameters

• Formula: C46 H42 N4 O12
• Calculated formula: C46 H42 N4 O12
• SMILES: c1(ccc(cc1)N(=O)=O)C(=O)N(Cc1ccc(cc1OC)OC)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N(c1ccc(cc1)C(=O)O)Cc1ccc(cc1OC)OC.O
• Title of publication: Rod?coil copolymers from oligo(p-benzamide) foldamers
• Authors of publication: Seyler, Helga; Berger-Nicoletti, Elena; Kilbinger, Andreas F. M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 1954
• a: 14.0604 ± 0.0005 Å
• b: 10.7206 ± 0.0019 Å
• c: 27.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4162.1 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2332
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No