Information card for entry 2008642

Structure parameters

• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• SMILES: N1=C([C@@](N=C([C@]1(C)Cc1cc(c(cc1)OC)OC)OC)(C)Cc1ccccc1)OC
• Title of publication: Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
• 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: 968 - 973
• a: 6.86 ± 0.001 Å
• b: 16.461 ± 0.001 Å
• c: 20.386 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302 ± 0.4 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: 0.0637
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0964
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes