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Information card for entry 4034683
Preview
| Coordinates | 4034683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 O3 |
|---|---|
| Calculated formula | C24 H18 O3 |
| SMILES | o1c(=O)c(c(cc1c1ccc(OC)cc1)c1ccccc1)c1ccccc1 |
| Title of publication | Rh(III)-Catalyzed [3 + 3] Annulation Reaction of Cyclopropenones and Sulfoxonium Ylides toward Trisubstituted 2-Pyrones. |
| Authors of publication | Zhou, Peng; Yang, Wei-Tao; Rahman, Anis Ur; Li, Guigen; Jiang, Bo |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 7.3732 ± 0.0007 Å |
| b | 9.8713 ± 0.0009 Å |
| c | 13.3675 ± 0.0012 Å |
| α | 99.627 ± 0.002° |
| β | 97.603 ± 0.002° |
| γ | 102.719 ± 0.003° |
| Cell volume | 921.11 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223430 (current) | 2019-11-07 | cif/ Adding structures of 4034683 via cif-deposit CGI script. |
4034683.cif |
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