Information card for entry 2204425

Structure parameters

• Common name: 2-(p-Nitrophenoxy)terahydropyran
• Chemical name: 2-(p-Nitrophenoxy)terahydropyran
• Formula: C11 H13 N O4
• Calculated formula: C11 H13 N O4
• SMILES: N(=O)(=O)c1ccc(OC2OCCCC2)cc1
• Title of publication: 2-(<i>p</i>-Nitrophenoxy)tetrahydropyran
• Authors of publication: Chopra, Reenu; Ning Shan; Motherwell, W. D. Sam; Jones, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1923 - o1924
• a: 7.4772 ± 0.0001 Å
• b: 21.9462 ± 0.0004 Å
• c: 6.7828 ± 0.0001 Å
• α: 90°
• β: 102.491 ± 0.001°
• γ: 90°
• Cell volume: 1086.69 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes