Information card for entry 2219336

Structure parameters

• Chemical name: Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate
• Formula: C22 H26 F4 O8
• Calculated formula: C22 H26 F4 O8
• SMILES: CCOC(=O)C(C(=O)OCC)Cc1c(F)c(F)c(c(c1F)F)CC(C(=O)OCC)C(=O)OCC
• Title of publication: Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate
• Authors of publication: Xi, Haitao; Gao, Yajun; Sun, Xiaoqiang; Meng, Qi; Jiang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1853
• a: 9.833 ± 0.005 Å
• b: 8.797 ± 0.004 Å
• c: 27.587 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes