Information card for entry 1505927

Structure parameters

• Formula: C20 H24 N4 O7
• Calculated formula: C20 H24 N4 O7
• SMILES: O=C(O)c1ccc(cc1)NC(=O)c1ccc(cc1)N(=O)=O.O=CN(C)C.O=CN(C)C
• 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: 9.129 ± 0.006 Å
• b: 12.031 ± 0.003 Å
• c: 9.871 ± 0.007 Å
• α: 90°
• β: 102.28 ± 0.03°
• γ: 90°
• Cell volume: 1059.3 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No