Information card for entry 2009056

Structure parameters

• Formula: C12 H12 O8
• Calculated formula: C12 H12 O8
• SMILES: O=C1OCCOC(=O)/C=C\C(=O)OCCOC(=O)/C=C\1
• Title of publication: A cyclic dimer of ethyleneglycol maleate
• Authors of publication: Foxon, Simon P.; Semlyen, J. Anthony; Wood, Barry R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: IUC9900115
• a: 9.929 ± 0.003 Å
• b: 8.895 ± 0.002 Å
• c: 14.482 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No