Information card for entry 2010248

Structure parameters

• Common name: DL-valine NCA
• Chemical name: N-carboxy-DL-valine anhydride
• Formula: C6 H9 N O3
• Calculated formula: C6 H9 N O3
• SMILES: O=C1OC(=O)C(N1)C(C)C
• Title of publication: <small>DL</small>-Valine NCA
• Authors of publication: Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1950 - 1952
• a: 8.938 ± 0.001 Å
• b: 10.207 ± 0.002 Å
• c: 7.788 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 710.5 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.113
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No