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Information card for entry 7001162
Preview
Coordinates | 7001162.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H39.25 N8 O2.13 |
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Calculated formula | C36 H39 N8 O2.125 |
Title of publication | Selective, catalytic aerobic oxidation of alcohols using CuBr2 and bifunctional triazine-based ligands containing both a bipyridine and a TEMPO group |
Authors of publication | Lu, Zhengliang; Ladrak, Tim; Roubeau, Olivier; van der Toorn, John; Teat, Simon J.; Massera, Chiara; Gamez, Patrick; Reedijk, Jan |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 18 |
Pages of publication | 3559 - 3570 |
a | 12.0789 ± 0.0013 Å |
b | 17.5848 ± 0.0018 Å |
c | 17.6973 ± 0.0018 Å |
α | 63.904 ± 0.002° |
β | 78.702 ± 0.002° |
γ | 89.122 ± 0.002° |
Cell volume | 3299.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0838 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.2029 |
Weighted residual factors for all reflections included in the refinement | 0.2203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7001162.html
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