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Information card for entry 4516214
Preview
Coordinates | 4516214.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H38 Fe2 N2 O4 Pd2 |
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Calculated formula | C30 H38 Fe2 N2 O4 Pd2 |
SMILES | [Pd]12([O]=C(C)O[Pd]3([O]=C(O1)C)[N](C)(C)C[c]14[c]53[Fe]36789%101([cH]4[cH]3[cH]56)[cH]1[cH]%10[cH]9[cH]8[cH]71)[N](C[c]13[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]([cH]18)[cH]%10[c]329)(C)C |
Title of publication | Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization |
Authors of publication | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 11386 |
a | 7.4139 ± 0.0008 Å |
b | 12.1658 ± 0.0012 Å |
c | 17.3075 ± 0.0018 Å |
α | 89.281 ± 0.003° |
β | 88.144 ± 0.003° |
γ | 71.583 ± 0.003° |
Cell volume | 1480.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
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/4516214.html
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Users of the data should acknowledge the original authors of the
structural data.