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Information card for entry 2206728
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| Coordinates | 2206728.cif |
|---|---|
| Structure factors | 2206728.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2,5-diphenylfuran-3-carboxylate |
|---|---|
| Formula | C19 H16 O3 |
| Calculated formula | C19 H16 O3 |
| SMILES | c1ccccc1c1c(cc(c2ccccc2)o1)C(=O)OCC |
| Title of publication | Ethyl 2,5-diphenylfuran-3-carboxylate |
| Authors of publication | Meng, Xiang-Gao; Wu, An-Xin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2808 - o2809 |
| a | 9.6272 ± 0.0009 Å |
| b | 15.0692 ± 0.0014 Å |
| c | 21.286 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3088 ± 0.5 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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