Information card for entry 2223981

Structure parameters

• Chemical name: 2-(2-Nitrophenyl)-1,3-dioxan-5-ol
• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: O1C(c2c(N(=O)=O)cccc2)OCC(O)C1
• Title of publication: 2-(2-Nitrophenyl)-1,3-dioxan-5-ol
• Authors of publication: Chen, Jin; Ren, Xukang; Li, Zhaobo; Du, Xiaohua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2852
• a: 8.0166 ± 0.0004 Å
• b: 10.6499 ± 0.0005 Å
• c: 12.4109 ± 0.0006 Å
• α: 90°
• β: 101.221 ± 0.001°
• γ: 90°
• Cell volume: 1039.34 ± 0.09 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0679
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes