Information card for entry 2206975

Structure parameters

• Chemical name: Tetraethyl 2,2'-(p-phenylenedimethylene)dimalonate
• Formula: C22 H30 O8
• Calculated formula: C22 H30 O8
• SMILES: CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)CC(C(=O)OCC)C(=O)OCC
• Title of publication: Tetraethyl 2,2'-(<i>p</i>-phenylenedimethylene)dimalonate
• Authors of publication: Ai-Hua Chen; Zhi-Guo Wang; Guo-Dong Yin; An-Xin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3240 - o3241
• a: 9.461 ± 0.002 Å
• b: 8.3944 ± 0.0017 Å
• c: 14.601 ± 0.003 Å
• α: 90°
• β: 94.069 ± 0.004°
• γ: 90°
• Cell volume: 1156.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes