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Information card for entry 4080636
Preview
Coordinates | 4080636.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H42 F6 N4 O12 Pd2 S2 |
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Calculated formula | C32 H42 F6 N4 O12 Pd2 S2 |
SMILES | [Pd]12([O]=C(C)O[Pd]3([O]=C(O1)C)[N]1[C@H](COC=1c1[n]3c(ccc1)C)C(C)(C)C)[N]1[C@H](COC=1c1[n]2c(ccc1)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts |
Authors of publication | De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 7 |
Pages of publication | 2257 |
a | 9.8875 ± 0.0009 Å |
b | 10.6135 ± 0.001 Å |
c | 10.6892 ± 0.0009 Å |
α | 71.972 ± 0.002° |
β | 70.386 ± 0.002° |
γ | 85.06 ± 0.002° |
Cell volume | 1004.57 ± 0.16 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0546 |
Weighted residual factors for all reflections included in the refinement | 0.057 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080636.html
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Users of the data should acknowledge the original authors of the
structural data.