Information card for entry 2212551

Structure parameters

• Chemical name: 4-Nitrobenzyl 5-oxo-2-(2-oxopiperidin-1-yl)tetrahydrofuran-2-carboxylate
• Formula: C17 H18 N2 O7
• Calculated formula: C17 H18 N2 O7
• Title of publication: 4-Nitrobenzyl 5-oxo-2-(2-oxopiperidin-1-yl)tetrahydrofuran-2-carboxylate
• Authors of publication: Samantha J. Shanley; Christopher J. Scholfield; Simon J. Coles; David J. Watkin; Delphine S. Fischer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1523 - o1525
• a: 9.2366 ± 0.0009 Å
• b: 12.0658 ± 0.001 Å
• c: 15.0535 ± 0.0015 Å
• α: 88.416 ± 0.003°
• β: 82.933 ± 0.003°
• γ: 89.663 ± 0.007°
• Cell volume: 1664.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections: 0.3105
• Weighted residual factors for significantly intense reflections: 0.3102
• Weighted residual factors for all reflections included in the refinement: 0.3102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes