Information card for entry 2208164

Structure parameters

• Chemical name: N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl- (E)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate
• Formula: C30 H39 N5 O10
• Calculated formula: C30 H39 N5 O10
• Title of publication: <i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate
• Authors of publication: Makowski, Maciej; Lisowski, Marek; Maciąg, Anna; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o807 - o810
• a: 15.371 ± 0.004 Å
• b: 23.889 ± 0.006 Å
• c: 8.94 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3282.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes