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Information card for entry 7118502
Preview
| Coordinates | 7118502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Methyl 2-(4-bromophenyl)-4,5-diphenylfuran-3-carboxylate |
|---|---|
| Chemical name | wip2014-9-3 |
| Formula | C24 H17 Br O3 |
| Calculated formula | C24 H17 Br O3 |
| SMILES | Brc1ccc(c2oc(c(c2C(=O)OC)c2ccccc2)c2ccccc2)cc1 |
| Title of publication | Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans. |
| Authors of publication | Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 1661 - 1664 |
| a | 9.703 ± 0.0006 Å |
| b | 10.0809 ± 0.001 Å |
| c | 11.7856 ± 0.0009 Å |
| α | 68.569 ± 0.008° |
| β | 80.101 ± 0.006° |
| γ | 67.458 ± 0.008° |
| Cell volume | 990.43 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118502.cif |
| 174637 | 2016-01-21 | cif/ Adding structures of 7118502, 7118503, 7118504 via cif-deposit CGI script. |
7118502.cif |
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Users of the data should acknowledge the original authors of the
structural data.