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Information card for entry 8102501
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Coordinates | 8102501.cif |
---|
Formula | C21 H10 F8 O4 |
---|---|
Calculated formula | C21 H10 F8 O4 |
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 Å3 |
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 |
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