Information card for entry 2212492

Structure parameters

• Chemical name: Ethyl 2-(2-formylphenoxy)ethanoate‒ethyl 2-(2-carboxyphenoxy)ethanoate [0.682(7)/0.318(7)]
• Formula: C11 H12 O4.32
• Calculated formula: C11 H12 O4.318
• Title of publication: Ethyl 2-(2-formylphenoxy)ethanoate‒ethyl 2-(2-carboxyphenoxy)ethanoate [0.682(7)/0.318(7)]
• Authors of publication: Williamson, Craig; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1426 - o1427
• a: 4.8119 ± 0.0002 Å
• b: 13.8528 ± 0.0006 Å
• c: 15.6831 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1045.41 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes