Information card for entry 2224160

Structure parameters

• Chemical name: 1-Dodecyloxy-4-nitrobenzene
• Formula: C18 H29 N O3
• Calculated formula: C18 H29 N O3
• SMILES: c1(ccc(cc1)OCCCCCCCCCCCC)N(=O)=O
• Title of publication: 1-Dodecyloxy-4-nitrobenzene
• Authors of publication: Yue, Xi-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3034
• a: 5.615 ± 0.003 Å
• b: 16.064 ± 0.007 Å
• c: 21.39 ± 0.012 Å
• α: 72.19 ± 0.015°
• β: 87.29 ± 0.018°
• γ: 80.24 ± 0.016°
• Cell volume: 1810.3 ± 1.6 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: 0.1786
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes