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Information card for entry 4513810
Preview
| Coordinates | 4513810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 N O3 S |
|---|---|
| Calculated formula | C12 H13 N O3 S |
| SMILES | S(=O)(=O)(N1C(=C)CCC1=O)c1ccc(cc1)C |
| Title of publication | Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams |
| Authors of publication | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1565 |
| a | 7.4674 ± 0.0004 Å |
| b | 8.2917 ± 0.0004 Å |
| c | 10.159 ± 0.0005 Å |
| α | 84.506 ± 0.002° |
| β | 89.933 ± 0.002° |
| γ | 69.136 ± 0.001° |
| Cell volume | 584.71 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0358 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181421 (current) | 2016-04-04 | cif/ Updating files of 4513808, 4513809, 4513810, 4513811, 4513812, 4513813, 4513814 Original log message: Adding full bibliography for 4513808--4513814.cif. |
4513810.cif |
| 176006 | 2016-02-05 | cif/ Adding structures of 4513808, 4513809, 4513810, 4513811, 4513812, 4513813, 4513814 via cif-deposit CGI script. |
4513810.cif |
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Users of the data should acknowledge the original authors of the
structural data.