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Information card for entry 4515778
Preview
| Coordinates | 4515778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 O3 |
|---|---|
| Calculated formula | C26 H18 O3 |
| SMILES | o1c(c(c(c1c1ccccc1)/C=C/C=O)C(=O)c1ccccc1)c1ccccc1 |
| 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 | 24.897 ± 0.003 Å |
| b | 5.8589 ± 0.0006 Å |
| c | 26.361 ± 0.003 Å |
| α | 90° |
| β | 100.161 ± 0.004° |
| γ | 90° |
| Cell volume | 3784.9 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0983 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225903 (current) | 2019-11-10 | cif/ Adding structures of 4515778 via cif-deposit CGI script. |
4515778.cif |
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Users of the data should acknowledge the original authors of the
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