Information card for entry 2216841

Structure parameters

• Chemical name: Methyl 2-hydroxy-3-(2-nitrophenyl)-2-(2-oxocyclopentyl)propanoate
• Formula: C15 H17 N O6
• Calculated formula: C15 H17 N O6
• SMILES: O=C1CCC[C@H]1[C@@](O)(C(=O)OC)Cc1ccccc1N(=O)=O.O=C1CCC[C@@H]1[C@](O)(C(=O)OC)Cc1ccccc1N(=O)=O
• Title of publication: Methyl 2-hydroxy-3-(2-nitrophenyl)-2-(2-oxocyclopentyl)propanoate
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4595 - o4595
• a: 14.556 ± 0.004 Å
• b: 5.54 ± 0.002 Å
• c: 18.194 ± 0.006 Å
• α: 90°
• β: 95.12 ± 0.03°
• γ: 90°
• Cell volume: 1461.3 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2237
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes