Information card for entry 2007186

Structure parameters

• Chemical name: L-histidinol phosphate tetrahydrate
• Formula: C6 H20 N3 O8 P
• Calculated formula: C6 H20 N3 O8 P
• SMILES: P(=O)([O-])([O-])OC[C@@H]([NH3+])Cc1[nH]c[nH+]c1.O.O.O.O
• Title of publication: <small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K
• Authors of publication: Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 559 - 561
• a: 9.337 ± 0.008 Å
• b: 7.597 ± 0.004 Å
• c: 9.321 ± 0.006 Å
• α: 90°
• β: 104.46 ± 0.07°
• γ: 90°
• Cell volume: 640.2 ± 0.8 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 1.104
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No