Information card for entry 1505929

Structure parameters

• Formula: C22 H18 N2 O6
• Calculated formula: C22 H18 N2 O6
• SMILES: N(Cc1ccc(cc1)OC)(c1ccc(cc1)C(=O)O)C(=O)c1ccc(cc1)N(=O)=O
• 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: 16.0866 ± 0.0008 Å
• b: 17.8033 ± 0.001 Å
• c: 7.1185 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.7 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1443
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No