Information card for entry 2015475

Structure parameters

• Common name: L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate
• Chemical name: L-alanyl-L-tyrosyl-L-alanine 2.63-hydrate
• Formula: C15 H26.26 N3 O7.63
• Calculated formula: C15 H26.256 N3 O7.628
• Title of publication: Two modifications of <small>L</small>-alanyl-<small>L</small>-tyrosyl-<small>L</small>-alanine with different solvent molecules in the crystal lattice
• Authors of publication: Chęcińska, Lilianna; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o454 - o457
• a: 8.121 ± 0.003 Å
• b: 9.299 ± 0.004 Å
• c: 12.532 ± 0.005 Å
• α: 90°
• β: 91.21 ± 0.02°
• γ: 90°
• Cell volume: 946.2 ± 0.7 ų
• Cell temperature: 9 ± 2 K
• Ambient diffraction temperature: 9 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.5 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes