Information card for entry 2008635

Structure parameters

• Formula: C19 H27 N3 O6
• Calculated formula: C19 H27 N3 O6
• SMILES: N1=C(OC)[C@H](N=C(OC)[C@@H]1C(C)C)[C@H](c1ccc(OC)c(OC)c1)CN(=O)=O
• Title of publication: Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)
• Authors of publication: Bolte, Michael; Benecke, Bernd; Egert, Ernst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 964 - 968
• a: 8.88 ± 0.002 Å
• b: 6.748 ± 0.002 Å
• c: 17.73 ± 0.004 Å
• α: 90°
• β: 100.42 ± 0.03°
• γ: 90°
• Cell volume: 1044.9 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes