Information card for entry 2224839

Structure parameters

• Common name: 4-Hydroxy-3-nitrophenyl pentanoate
• Chemical name: 4-Hydroxy-3-nitrophenyl pentanoate
• Formula: C11 H13 N O5
• Calculated formula: C11 H13 N O5
• SMILES: O=N(=O)c1cc(OC(=O)CCCC)ccc1O
• Title of publication: 4-Hydroxy-3-nitrophenyl pentanoate
• Authors of publication: Yang, Hongxiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o481
• a: 5.3006 ± 0.0014 Å
• b: 10.435 ± 0.002 Å
• c: 11.365 ± 0.003 Å
• α: 67.34 ± 0.012°
• β: 81.074 ± 0.017°
• γ: 77.114 ± 0.016°
• Cell volume: 563.8 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes