Information card for entry 2011293

Structure parameters

• Common name: N-Methyl-DL-Aspartic Acid monohydrate
• Chemical name: N-Methyl-DL-Aspartic Acid
• Formula: C5 H11 N O5
• Calculated formula: C5 H11 N O5
• SMILES: [O-]C(=O)C([NH2+]C)CC(=O)O.O
• Title of publication: <i>N</i>-Methyl-<small>DL</small>-aspartic acid monohydrate
• Authors of publication: Madsen, Dennis; Pattison, Philip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1157 - 1158
• a: 9.282 Å
• b: 10.803 Å
• c: 7.887 Å
• α: 90°
• β: 111.45°
• γ: 90°
• Cell volume: 736.08 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No