Information card for entry 2014604

Structure parameters

• Common name: L-amidino-4-hydroxyproline
• Chemical name: N-Amidino-4-hydroxy-L-proline monohydrate
• Formula: C6 H13 N3 O4
• Calculated formula: C6 H13 N3 O4
• SMILES: O=C([O-])[C@H]1N(C(=[NH2+])N)C[C@H](O)C1.O
• Title of publication: <i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate
• Authors of publication: Ślepokura, Katarzyna; Gawłowska, Monika
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o25 - o28
• a: 4.604 ± 0.002 Å
• b: 12.514 ± 0.004 Å
• c: 14.422 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 830.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes