Information card for entry 2015011

Structure parameters

• Common name: DL-proline
• Chemical name: DL-proline
• Formula: C5 H9 N O2
• Calculated formula: C5 H9 N O2
• SMILES: C(=O)([O-])C1[NH2+]CCC1
• Title of publication: <small>DL</small>-Proline
• Authors of publication: Myung, Sunnie; Pink, Maren; Baik, Mu-Hyun; Clemmer, David E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o506 - o508
• a: 8.9906 ± 0.0006 Å
• b: 5.2987 ± 0.0004 Å
• c: 11.4786 ± 0.0008 Å
• α: 90°
• β: 97.041 ± 0.002°
• γ: 90°
• Cell volume: 542.7 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes