Information card for entry 2017809

Structure parameters

• Common name: L-His-L-Ser 3.7-hydrate
• Chemical name: L-Histidyl-L-serine 3.7-hydrate
• Formula: C9 H21.4 N4 O7.7
• Calculated formula: C9 H18 N4 O7.7
• Title of publication: <small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o531 - o534
• a: 4.812 ± 0.003 Å
• b: 15.505 ± 0.008 Å
• c: 18.958 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.5 ± 1.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes