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Information card for entry 4515779
Preview
| Coordinates | 4515779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 O5 |
|---|---|
| Calculated formula | C12 H14 O5 |
| SMILES | o1c(/C=C/C(=O)OC)cc(c1C)C(=O)OCC |
| Title of publication | Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls |
| Authors of publication | Lad, Bapurao Sudam; Katukojvala, Sreenivas |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11807 |
| a | 5.8118 ± 0.0008 Å |
| b | 7.6603 ± 0.001 Å |
| c | 13.506 ± 0.002 Å |
| α | 82.491 ± 0.007° |
| β | 89.314 ± 0.007° |
| γ | 82.461 ± 0.007° |
| Cell volume | 590.97 ± 0.14 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0455 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225904 (current) | 2019-11-10 | cif/ Adding structures of 4515779 via cif-deposit CGI script. |
4515779.cif |
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Users of the data should acknowledge the original authors of the
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