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Information card for entry 4081367
Preview
Coordinates | 4081367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32 F3 N3 O6 Pd S |
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Calculated formula | C25 H32 F3 N3 O6 Pd S |
SMILES | [Pd]12(C(=C(c3c(cccc3)C(NC)=[O]2)c2ccccc2)C(=O)OC)[N](C)(C)CC[N]1(C)C.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones |
Authors of publication | Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 16 |
Pages of publication | 4664 |
a | 17.8564 ± 0.0004 Å |
b | 16.0031 ± 0.0004 Å |
c | 19.9027 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5687.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0437 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4081367.html
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