Information card for entry 2012001

Structure parameters

• Common name: DL-alanine
• Chemical name: DL-Alanine
• Formula: C3 H7 N O2
• Calculated formula: C3 H7 N O2
• SMILES: O=C([O-])C(C)[NH3+]
• Title of publication: <small>DL</small>-Alanine
• Authors of publication: Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 614 - 615
• a: 12.0263 ± 0.0017 Å
• b: 6.0321 ± 0.0009 Å
• c: 5.829 ± 0.002 Å
• α: 90 ± 0.12°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 422.86 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No