Information card for entry 2216937

Structure parameters

• Chemical name: 1-(2-Methoxyethoxy)-4-nitrobenzene
• Formula: C9 H11 N O4
• Calculated formula: C9 H11 N O4
• SMILES: c1(ccc(cc1)OCCOC)N(=O)=O
• Title of publication: 1-(2-Methoxyethoxy)-4-nitrobenzene
• Authors of publication: Yang Liu; Wei-Na Xu; Xiao-Ling Zhang; Jian-Ping Ma; Dian-Shun Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o12 - o12
• a: 11.28 ± 0.003 Å
• b: 20.43 ± 0.005 Å
• c: 4.1079 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 946.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes