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Information card for entry 4021577
Preview
Coordinates | 4021577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H49 F6 Fe N O P Pd Sb |
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Calculated formula | C40 H49 F6 Fe N O P Pd Sb |
SMILES | [Pd]123([P](c4ccccc4)(c4ccccc4)[c]45[Fe]6789%10%11%12([cH]4[cH]6[cH]7[c]58C4OC[C@@H]([N]1=4)C(C)(C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)C1CCC[CH]3=[CH]21.[Sb]([F-])(F)(F)([F-])(F)[F-] |
Title of publication | Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis |
Authors of publication | Felix M. Geisler; Günter Helmchen |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 2486 - 2492 |
a | 9.708 ± 0.0007 Å |
b | 19.346 ± 0.001 Å |
c | 20.884 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3922.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0314 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021577.html
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