Information card for entry 2221826

Structure parameters

• Chemical name: 1,5-Bis(4-nitrophenoxy)pentane
• Formula: C17 H18 N2 O6
• Calculated formula: C17 H18 N2 O6
• SMILES: N(=O)(=O)c1ccc(OCCCCCOc2ccc(N(=O)=O)cc2)cc1
• Title of publication: 1,5-Bis(4-nitrophenoxy)pentane
• Authors of publication: Khan, Muhammad Saif Ullah; Akhter, Zareen; Bolte, Michael; Butt, M. Saeed; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o946
• a: 10.6032 ± 0.0008 Å
• b: 10.7227 ± 0.0009 Å
• c: 16.3124 ± 0.0014 Å
• α: 95.603 ± 0.007°
• β: 105.718 ± 0.006°
• γ: 110.572 ± 0.006°
• Cell volume: 1632.7 ± 0.3 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: 0.063
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes