Information card for entry 2018727

Structure parameters

• Common name: L-leucyl-glycine dihydrate
• Chemical name: <i>L</i>-Leucylglycine 0.67-hydrate
• Formula: C24 H52 N6 O11
• Calculated formula: C24 H52 N6 O11
• SMILES: [NH3+][C@H](C(=O)NCC(=O)[O-])CC(C)C.O
• Title of publication: <small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate
• Authors of publication: Kiyotani, Tamiko; Sugawara, Yoko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o498 - o501
• a: 8.735 ± 0.005 Å
• b: 15.54 ± 0.01 Å
• c: 24.238 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3290 ± 3 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 1 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: 0.0742
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes