Information card for entry 2208510

Structure parameters

• Chemical name: (R)-3-Hydroxy-1-(N-p-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine
• Formula: C14 H17 N3 O5
• Calculated formula: C14 H17 N3 O5
• SMILES: C1[C@H](CCN1C(C)=NC(=O)OCc1ccc(cc1)N(=O)=O)O
• Title of publication: (<i>S</i>)-3-Hydroxy-1-(<i>N</i>-<i>p</i>-nitrobenzyloxycarbonylacetimidoyl)pyrrolidine
• Authors of publication: Ren, Peng; Yang, Xue-Mei; Guo, Jing-Ning; Zhu, Xi-Zong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1558 - o1559
• a: 7.2123 ± 0.0005 Å
• b: 9.2723 ± 0.0006 Å
• c: 10.9592 ± 0.0007 Å
• α: 90°
• β: 92.058 ± 0.001°
• γ: 90°
• Cell volume: 732.42 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0427
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No