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Information card for entry 1508805
Preview
Coordinates | 1508805.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H32 Cl4 Ir N2 O6 P2 |
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Calculated formula | C48 H35 Ir N2 O10 P2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)c2c(c3c(cc2)OCO3)c2c(ccc3c2OCO3)[P](c2ccccc2)(c2ccccc2)[Ir]2341(c1c(cc(c(c1)N(=O)=O)N(=O)=O)C(=O)O4)C[CH]2=[CH2]3 |
Title of publication | Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes. |
Authors of publication | Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 24 |
Pages of publication | 6302 - 6305 |
a | 11.849 ± 0.002 Å |
b | 17.116 ± 0.003 Å |
c | 22.974 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4659.3 ± 1.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0261 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71075 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/1508805.html
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