Information card for entry 8102501

Structure parameters

• Formula: C21 H10 F8 O4
• Calculated formula: C21 H10 F8 O4
• SMILES: O=C(OC)c1c(c(c(C2=CC=C(C2)c2c(c(c(c(c2F)F)C(=O)OC)F)F)c(c1F)F)F)F
• Title of publication: Crystal structure of dimethyl 4,4'-(cyclopenta-3,5-diene-1,3-diyl)bis(2,3,5,6-tetrafluorobenzoate), C21H10F8O4
• Authors of publication: Barbara Enk; Klaus Wurst; Benno Bildstein
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 668
• a: 7.9194 ± 0.0002 Å
• b: 8.014 ± 0.0002 Å
• c: 32.157 ± 0.0008 Å
• α: 89.179 ± 0.002°
• β: 88.127 ± 0.002°
• γ: 66.049 ± 0.002°
• Cell volume: 1864.15 ± 0.09 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No