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Information card for entry 1559895
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Coordinates | 1559895.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H32 N6 O |
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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 |
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