Information card for entry 2006022

Structure parameters

• Formula: C17 H26 N2 O5
• Calculated formula: C17 H26 N2 O5
• SMILES: O=C1N(CC(=O)N(C1)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)C(=O)C
• Title of publication: 1-Acetyl-4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-3-menthyloxycarbonyl]piperazine-2,5-dione
• Authors of publication: Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 327 - 329
• a: 9.977 ± 0.004 Å
• b: 5.757 ± 0.004 Å
• c: 16.047 ± 0.003 Å
• α: 90°
• β: 96.26 ± 0.02°
• γ: 90°
• Cell volume: 916.2 ± 0.8 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0983
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0448
• Goodness-of-fit parameter for all reflections: 1.989
• Goodness-of-fit parameter for significantly intense reflections: 1.989
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No