Information card for entry 2201566

Structure parameters

• Chemical name: n-Methyl-4-hydroxyproline
• Formula: C6 H11 N O3
• Calculated formula: C6 H11 N O3
• SMILES: O=C([O-])[C@H]1[NH+](C[C@H](O)C1)C
• Title of publication: 4-Hydroxy-<i>N</i>-methylproline
• Authors of publication: Yapp, Donald T. T.; Steed, Jonathan W.; Houghton, Peter J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o988 - o989
• a: 6.6709 ± 0.0006 Å
• b: 5.7814 ± 0.0005 Å
• c: 8.8881 ± 0.0006 Å
• α: 90°
• β: 100.684 ± 0.005°
• γ: 90°
• Cell volume: 336.85 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes