Information card for entry 2008384

Structure parameters

• Chemical name: (R)1-(1-hydroxymethyl-propyl)-pyrrolidine-2,5-dione
• Formula: C8 H13 N O3
• Calculated formula: C8 H13 N O3
• SMILES: C([C@@H](CC)N1C(=O)CCC1=O)O
• Title of publication: (<i>R</i>)-<i>N</i>-(1-Hydroxybut-2-yl)pyrrolidine-2,5-dione
• Authors of publication: Pilati, Tullio; G. Biju Kumar; Amrish C. Shah
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 612 - 613
• a: 9.619 ± 0.001 Å
• b: 10.325 ± 0.002 Å
• c: 18.91 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878.1 ± 0.5 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: 0.0956
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No