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Information card for entry 1543356
Preview
| Coordinates | 1543356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | YA375-F1 |
|---|---|
| Chemical name | YA375-F1 |
| Formula | C29 H22 O4 |
| Calculated formula | C29 H22 O4 |
| SMILES | O=C(OC)C1=C2c3ccccc3c3ccccc3C2=C([C@@H]2c3ccccc3C[C@H]12)C(=O)OC |
| Title of publication | Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Unsymmetrical 1,2-Disubstituted Alkenes. |
| Authors of publication | Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 11 |
| Pages of publication | 2672 - 2675 |
| a | 5.105 ± 0.0001 Å |
| b | 9.985 ± 0.0002 Å |
| c | 11.8359 ± 0.0002 Å |
| α | 65.909 ± 0.001° |
| β | 85.15 ± 0.001° |
| γ | 82.591 ± 0.001° |
| Cell volume | 545.829 ± 0.018 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184974 (current) | 2016-08-05 | cif/ Updating files of 1543356 Original log message: Adding full bibliography for 1543356.cif. |
1543356.cif |
| 183091 | 2016-05-25 | cif/ Adding structures of 1543356 via cif-deposit CGI script. |
1543356.cif |
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Users of the data should acknowledge the original authors of the
structural data.