Information card for entry 2009579

Structure parameters

• Common name: (Z)-Aib-Gly-L-Ile-L-Leu-OMe_monohydrate
• Chemical name: N^α^-benzyloxycarbonyl-α-aminoisobutyryl-glycyl-L-isoleucyl- L-leucine methyl ester monohydrate
• Formula: C27 H44 N4 O8
• Calculated formula: C27 H44 N4 O8
• Title of publication: <i>N</i>^{α^}-Benzyloxycarbonyl-α-aminoisobutyrylglycyl-<small>L</small>-isoleucyl-<small>L</small>-leucine methyl ester monohydrate
• Authors of publication: Crisma, Marco; Valle, Giovanni; Monaco, Vania; Formaggio, Fernando; Toniolo, Claudio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 563 - 565
• a: 14.556 ± 0.002 Å
• b: 11.759 ± 0.002 Å
• c: 9.473 ± 0.002 Å
• α: 90°
• β: 104.1 ± 0.2°
• γ: 90°
• Cell volume: 1572.6 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 0.892
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No