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Information card for entry 1559895
Preview
| Coordinates | 1559895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H32 N6 O |
|---|---|
| Calculated formula | C23 H32 N6 O |
| SMILES | O=C(c1ccc(N)cc1)CCCCCCCCCCn1nnc(c1)Cn1nccc1 |
| Title of publication | Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes |
| Authors of publication | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 1888 - 1898 |
| a | 5.4266 ± 0.0005 Å |
| b | 52.494 ± 0.005 Å |
| c | 8.032 ± 0.0008 Å |
| α | 90° |
| β | 107.835 ± 0.003° |
| γ | 90° |
| Cell volume | 2178.1 ± 0.4 Å3 |
| Cell temperature | 99.57 K |
| Ambient diffraction temperature | 99.57 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559895.cif |
| 263611 | 2021-04-05 | cif/ Updating files of 1559893, 1559894, 1559895 Original log message: Adding full bibliography for 1559893--1559895.cif. |
1559895.cif |
| 260333 | 2021-01-01 | cif/ Adding structures of 1559893, 1559894, 1559895 via cif-deposit CGI script. |
1559895.cif |
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Users of the data should acknowledge the original authors of the
structural data.