Information card for entry 2003231

Structure parameters

• Common name: tetramethyl-4,7-dioxadecanedioic acid
• Chemical name: 2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid
• Formula: C12 H22 O6
• Calculated formula: C12 H22 O6
• SMILES: OC(=O)C(COCCOCC(C(=O)O)(C)C)(C)C
• Title of publication: Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids
• Authors of publication: Ferguson, G.; Gallagher, J. F.; McAlees, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 454 - 458
• a: 12.457 ± 0.003 Å
• b: 9.828 ± 0.002 Å
• c: 12.588 ± 0.002 Å
• α: 90°
• β: 106.79 ± 0.02°
• γ: 90°
• Cell volume: 1475.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.35
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No