Information card for entry 4101259

Structure parameters

• Common name: Leu-Ser
• Chemical name: L-Leucyl-L-Serine
• Formula: C9 H18 N2 O4
• Calculated formula: C9 H18 N2 O4
• SMILES: [C@@H]([NH3+])(C(=O)N[C@H](C(=O)[O-])CO)CC(C)C
• Title of publication: Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.
• Authors of publication: Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 20
• Pages of publication: 6737 - 6744
• a: 18.138 ± 0.002 Å
• b: 18.138 ± 0.002 Å
• c: 6.163 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1755.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No