Information card for entry 2222551

Structure parameters

• Chemical name: 2,5-Dioxopyrrolidin-1-yl adamantane-1-carboxylate
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: C1C2CC3(CC1CC(C2)C3)C(=O)ON1C(=O)CCC1=O
• Title of publication: 2,5-Dioxopyrrolidin-1-yl adamantane-1-carboxylate
• Authors of publication: Liu, Joe; Clegg, Jack K.; Codd, Rachel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1740 - o1741
• a: 6.6711 ± 0.0003 Å
• b: 29.4502 ± 0.0014 Å
• c: 7.0291 ± 0.0003 Å
• α: 90°
• β: 104.447 ± 0.002°
• γ: 90°
• Cell volume: 1337.31 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes