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Information card for entry 4513866
Preview
| Coordinates | 4513866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 O2 |
|---|---|
| Calculated formula | C36 H32 O2 |
| Title of publication | Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome. |
| Authors of publication | Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés |
| Journal of publication | ACS catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 3349 - 3353 |
| a | 9.4194 ± 0.0013 Å |
| b | 7.0858 ± 0.0009 Å |
| c | 19.435 ± 0.003 Å |
| α | 90° |
| β | 95.373 ± 0.007° |
| γ | 90° |
| Cell volume | 1291.5 ± 0.3 Å3 |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188902 (current) | 2016-12-05 | cif/ Updating files of 4513865, 4513866, 4513867 Original log message: Adding full bibliography for 4513865--4513867.cif. |
4513866.cif |
| 183558 | 2016-06-17 | cif/ Updating files of 4513865, 4513866, 4513867 Original log message: Adding full bibliography for 4513865--4513867.cif. |
4513866.cif |
| 182263 | 2016-04-28 | cif/ Adding structures of 4513866 via cif-deposit CGI script. |
4513866.cif |
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Users of the data should acknowledge the original authors of the
structural data.