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Information card for entry 1518243
Preview
Coordinates | 1518243.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H40 Cl2 F6 N4 O2 P Rh |
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Calculated formula | C39 H40 Cl2 F6 N4 O2 P Rh |
SMILES | [Rh]12([n]3c(oc4c3cc(cc4)C(C)(C)C)c3c1cccc3)([n]1c(oc3ccc(cc13)C(C)(C)C)c1c2cccc1)([N]#CC)[N]#CC.ClCCl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality |
Authors of publication | Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 1094 |
a | 13.1445 ± 0.0005 Å |
b | 13.6427 ± 0.0006 Å |
c | 22.5166 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4037.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.0579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518243.html
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