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Information card for entry 7046096
Preview
| Coordinates | 7046096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H16 N2 O2 |
|---|---|
| Calculated formula | C21 H16 N2 O2 |
| Title of publication | A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics. |
| Authors of publication | Raya-Barón, Álvaro; Galdeano-Ruano, Carmen P; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; López-Ruiz, Rosalía; Romero-González, Roberto; Kuzu, Istemi; Fernández, Ignacio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 21 |
| Pages of publication | 7272 - 7281 |
| a | 10.7345 ± 0.0004 Å |
| b | 7.9738 ± 0.0003 Å |
| c | 18.3724 ± 0.0008 Å |
| α | 90° |
| β | 96.22 ± 0.002° |
| γ | 90° |
| Cell volume | 1563.32 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046096.cif |
| 229906 | 2019-11-17 | cif/ Updating files of 7046096, 7046097 Original log message: Adding full bibliography for 7046096--7046097.cif. |
7046096.cif |
| 207454 | 2018-04-24 | cif/ Adding structures of 7046096, 7046097 via cif-deposit CGI script. |
7046096.cif |
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Users of the data should acknowledge the original authors of the
structural data.