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Information card for entry 1540594
Preview
| Coordinates | 1540594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 O4 |
|---|---|
| Calculated formula | C21 H16 O4 |
| SMILES | O1C(=O)C2=C(C(=C(C2)c2ccccc2)c2ccc(cc2)C(=O)OC)C1 |
| Title of publication | Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition. |
| Authors of publication | Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 5638 - 5641 |
| a | 11.3289 ± 0.0006 Å |
| b | 14.3997 ± 0.0007 Å |
| c | 19.8404 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3236.6 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170743 (current) | 2015-12-06 | cif/ Adding structures of 1540594 via cif-deposit CGI script. |
1540594.cif |
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