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Information card for entry 1545677
Preview
| Coordinates | 1545677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H18 O2 |
|---|---|
| Calculated formula | C21 H18 O2 |
| SMILES | O1C(=O)[C@]2(c3ccccc3)[C@]3(C=C1c1ccccc1)[C@H]2CCC3 |
| Title of publication | Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates. |
| Authors of publication | Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 1306 - 1309 |
| a | 9.8614 ± 0.0019 Å |
| b | 11.994 ± 0.002 Å |
| c | 13.532 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1600.5 ± 0.5 Å3 |
| Cell temperature | 98 K |
| Ambient diffraction temperature | 98 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545677.cif |
| 194772 | 2017-04-04 | cif/ Adding structures of 1545677 via cif-deposit CGI script. |
1545677.cif |
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Users of the data should acknowledge the original authors of the
structural data.