Information card for entry 2229856

Structure parameters

• Chemical name: 4-(4-Nitrophenoxy)butanol
• Formula: C10 H13 N O4
• Calculated formula: C10 H13 N O4
• SMILES: O(c1ccc(N(=O)=O)cc1)CCCCO
• Title of publication: 4-(4-Nitrophenoxy)butanol
• Authors of publication: Akhter, Zareen; McKee, Vickie; Saif Ullah Khan, Muhammad; Iftikhar, Bushra; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o800
• a: 4.7971 ± 0.0006 Å
• b: 10.6035 ± 0.0013 Å
• c: 11.2523 ± 0.0014 Å
• α: 117.521 ± 0.002°
• β: 92.451 ± 0.002°
• γ: 94.971 ± 0.002°
• Cell volume: 503.46 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes