Information card for entry 2008636

Structure parameters

• Formula: C14 H24 N2 O4
• Calculated formula: C14 H24 N2 O4
• SMILES: N1=C([C@H](N=C([C@@H]1C(C)C)OC)[C@H]([C@@]1([C@@H](C)O1)C)O)OC
• 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: 8.514 ± 0.001 Å
• b: 9.301 ± 0.001 Å
• c: 20.119 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1593.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes