Information card for entry 2006842

Structure parameters

• Common name: L-Proline Monohydrate
• Formula: C5 H11 N O3
• Calculated formula: C5 H11 N O3
• Title of publication: <small>L</small>-Proline Monohydrate at 100 K
• Authors of publication: Janczak, Jan; Luger, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1954 - 1956
• a: 20.431 ± 0.004 Å
• b: 6.192 ± 0.001 Å
• c: 5.136 ± 0.001 Å
• α: 90 ± 0.01°
• β: 95.79 ± 0.02°
• γ: 90 ± 0.01°
• Cell volume: 646.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for all reflections: 1.207
• Goodness-of-fit parameter for significantly intense reflections: 1.207
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No