Information card for entry 2222159

Structure parameters

• Chemical name: 6-(4-Nitrophenoxy)hexanol
• Formula: C12 H17 N O4
• Calculated formula: C12 H17 N O4
• SMILES: N(=O)(=O)c1ccc(OCCCCCCO)cc1
• Title of publication: 6-(4-Nitrophenoxy)hexanol
• Authors of publication: Saif Ullah Khan, Muhammad; Akhter, Zareen; Bolte, Michael; Cheema, Sajjad A.; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1285
• a: 5.441 ± 0.0007 Å
• b: 10.227 ± 0.0011 Å
• c: 11.3333 ± 0.0014 Å
• α: 96.993 ± 0.009°
• β: 103.818 ± 0.01°
• γ: 99.516 ± 0.01°
• Cell volume: 595.34 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes