Information card for entry 2011639

Structure parameters

• Formula: C19 H28 N2 O4
• Calculated formula: C19 H28 N2 O4
• SMILES: c1(ccccc1)COC(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(C)C)CO
• Title of publication: The peptide (<i>Z</i>)-Pro‒Leuol
• Authors of publication: Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e578 - e579
• a: 6.371 ± 0.004 Å
• b: 8.824 ± 0.008 Å
• c: 34.303 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.117
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections: 1.995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.995
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes