Information card for entry 2008233

Structure parameters

• Common name: Z-Proψ[CO-N(NH2)]-Ala-NH^i^Pr
• Formula: C19 H28 N4 O4
• Calculated formula: C19 H28 N4 O4
• SMILES: c1(ccccc1)COC(=O)N1[C@@H](CCC1)C(=O)N(N)[C@@H](C)C(=O)NC(C)C
• Title of publication: Dipeptide (<i>Z</i>)-Pro-ψ[CO-N(NH~2~)]-Ala-NH^<i>i^</i>Pr
• Authors of publication: Aubry, Andre; Del Duca, Valerio; Pedone, Carlo; Zerkout, Said; Marraud, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 439 - 441
• a: 30.968 ± 0.002 Å
• b: 6.003 ± 0.002 Å
• c: 11.394 ± 0.002 Å
• α: 90°
• β: 107.26 ± 0.01°
• γ: 90°
• Cell volume: 2022.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections: 0.1588
• Weighted residual factors for significantly intense reflections: 0.1163
• Goodness-of-fit parameter for all reflections: 0.971
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes