Information card for entry 2229299

Structure parameters

• Chemical name: <i>tert</i>-Butyl 2-(4-nitrophenoxy)acetate
• Formula: C12 H15 N O5
• Calculated formula: C12 H15 N O5
• SMILES: O=N(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1
• Title of publication: <i>tert</i>-Butyl 2-(4-nitrophenoxy)acetate
• Authors of publication: Ali, Qamar; Anis, Itrat; Raza Shah, M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o532
• a: 19.2761 ± 0.0007 Å
• b: 12.1131 ± 0.0004 Å
• c: 11.7267 ± 0.0005 Å
• α: 90°
• β: 111.682 ± 0.004°
• γ: 90°
• Cell volume: 2544.38 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes