Information card for entry 2234553

Structure parameters

• Chemical name: Ethyl 2-(4-nitrophenoxy)acetate
• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: O(c1ccc(cc1)N(=O)=O)CC(=O)OCC
• Title of publication: Ethyl 2-(4-nitrophenoxy)acetate
• Authors of publication: Sun, Su-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1534
• a: 5.3848 ± 0.0011 Å
• b: 8.4482 ± 0.0017 Å
• c: 24.238 ± 0.005 Å
• α: 90°
• β: 92.59 ± 0.03°
• γ: 90°
• Cell volume: 1101.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes