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Information card for entry 7103483
Preview
Coordinates | 7103483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H32 O3 Ru |
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Calculated formula | C45 H32 O3 Ru |
SMILES | [Ru]12345(C#[O])(C#[O])C(=O)c6ccccc6[c]61[c]2([c]3([c]4([c]56c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C |
Title of publication | An unexpected ruthenium complex and its unique behavior as catalyst in dynamic kinetic resolution of secondary alcohols. |
Authors of publication | Chen, Qihui; Yuan, Chengye |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 42 |
Pages of publication | 5333 - 5335 |
a | 11.9868 ± 0.0019 Å |
b | 16.875 ± 0.003 Å |
c | 17.706 ± 0.003 Å |
α | 90° |
β | 104.126 ± 0.003° |
γ | 90° |
Cell volume | 3473.4 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1308 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.1738 |
Weighted residual factors for all reflections included in the refinement | 0.2022 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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