Information card for entry 4113699

Structure parameters

• Common name: texic acid dimethyl ester
• Chemical name: Deca-trans,trans,trans,trans-2:4:6:8-tetraene-1,10-dioic acid dimethyl ester
• Formula: C12 H14 O4
• Calculated formula: C12 H14 O4
• SMILES: C(=O)(/C=C/C=C\C=C/C=C\C(=O)OC)OC
• Title of publication: Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry
• Authors of publication: F. Albert Cotton; James P. Donahue; Carlos A. Murillo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5436 - 5450
• a: 5.9286 ± 0.0012 Å
• b: 6.6599 ± 0.0013 Å
• c: 7.7447 ± 0.0016 Å
• α: 104.439 ± 0.004°
• β: 94.001 ± 0.004°
• γ: 104.544 ± 0.004°
• Cell volume: 283.77 ± 0.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No