Information card for entry 2001250

Structure parameters

• Formula: C23 H26 N2 O5
• Calculated formula: C23 H26 N2 O5
• SMILES: O=C(N1CCC[C@H]1C(=O)N[C@@](C(=O)O)(Cc1ccccc1)C)OCc1ccccc1
• Title of publication: Structure of (<i>Z</i>)-<small>L</small>-Pro-<small>D</small>-(αMe)Phe-OH
• Authors of publication: Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2003 - 2005
• a: 20.841 ± 0.002 Å
• b: 12.947 ± 0.002 Å
• c: 8.168 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2204 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No