Information card for entry 1505928

Structure parameters

• Formula: C20 H22 N2 O5
• Calculated formula: C20 H22 N2 O5
• SMILES: c1(ccc(cc1)N(=O)=O)C(=O)N(c1ccc(cc1)C(=O)O)CCCCCC
• Title of publication: Solid-phase synthesis of oligo(p-benzamide) foldamers.
• Authors of publication: König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 1819 - 1822
• a: 24.997 ± 0.005 Å
• b: 8.6063 ± 0.0009 Å
• c: 19.087 ± 0.004 Å
• α: 90°
• β: 111.239 ± 0.008°
• γ: 90°
• Cell volume: 3827.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1951
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No