Information card for entry 2215923

Structure parameters

• Chemical name: Ethyl 2-[2-acetyl-5-(3-methylbut-2-enyloxy)phenoxy]acetate
• Formula: C17 H22 O5
• Calculated formula: C17 H22 O5
• SMILES: O(c1cc(OCC=C(C)C)ccc1C(=O)C)CC(=O)OCC
• Title of publication: Ethyl 2-[2-acetyl-5-(3-methylbut-2-enyloxy)phenoxy]acetate
• Authors of publication: Zhang, Cunyan; Li, Hui; Liu, Dengke; Liu, Mo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4210 - o4210
• a: 8.271 ± 0.003 Å
• b: 9.663 ± 0.003 Å
• c: 10.514 ± 0.004 Å
• α: 108.837 ± 0.006°
• β: 90.689 ± 0.006°
• γ: 94.101 ± 0.006°
• Cell volume: 792.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes