Information card for entry 2003232

Structure parameters

• Common name: hexamethyl-4,8-dioxaundecanedioic acid
• Chemical name: 2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioic acid
• Formula: C15 H28 O6
• Calculated formula: C15 H28 O6
• SMILES: OC(=O)C(COCC(COCC(C(=O)O)(C)C)(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: 5.765 ± 0.002 Å
• b: 11.951 ± 0.002 Å
• c: 13.325 ± 0.002 Å
• α: 98.17 ± 0.02°
• β: 91.71 ± 0.02°
• γ: 101.48 ± 0.02°
• Cell volume: 889 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.091
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No