Information card for entry 2211370

Structure parameters

• Chemical name: 2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2S,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate
• Formula: C15 H23 N O5
• Calculated formula: C15 H23 N O5
• SMILES: O=C(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)ON1C(=O)CCC1=O
• Title of publication: 2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate
• Authors of publication: Wang, Tong-Jian; Fang, Hua; Cheng, Fang; Tang, Guo; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5784 - o5785
• a: 6.5911 ± 0.0014 Å
• b: 7.7815 ± 0.0017 Å
• c: 31.125 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1596.4 ± 0.6 ų
• Cell temperature: 293 ± 2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes