Information card for entry 7150172

Structure parameters

• Formula: C16 H22 N2 O5
• Calculated formula: C16 H22 N2 O5
• SMILES: O(C(C)(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(=O)OC
• Title of publication: beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.
• Authors of publication: Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 2250 - 2254
• a: 5.108 ± 0.007 Å
• b: 5.71 ± 0.007 Å
• c: 14.903 ± 0.016 Å
• α: 79.659 ± 0.01°
• β: 81.128 ± 0.01°
• γ: 89.62 ± 0.01°
• Cell volume: 422.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.1146
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No