Information card for entry 2223929

Structure parameters

• Chemical name: 1-Decyloxy-4-nitrobenzene
• Formula: C16 H25 N O3
• Calculated formula: C16 H25 N O3
• SMILES: c1(ccc(cc1)OCCCCCCCCCC)N(=O)=O
• Title of publication: 1-Decyloxy-4-nitrobenzene
• Authors of publication: Yue, Xi-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2627
• a: 5.642 ± 0.003 Å
• b: 16.065 ± 0.008 Å
• c: 19.135 ± 0.007 Å
• α: 107.41 ± 0.016°
• β: 90.61 ± 0.016°
• γ: 99.78 ± 0.018°
• Cell volume: 1627.4 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1018
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes