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Information card for entry 4082558
Preview
Coordinates | 4082558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H40 Cl I2 N3 Pd |
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Calculated formula | C38 H40 Cl I2 N3 Pd |
SMILES | [Pd](I)(I)(=C1N(C=CN1[C@H](c1cccc2ccccc12)C(C)(C)C)[C@@H](C(C)(C)C)c1cccc2c1cccc2)[n]1cccc(Cl)c1 |
Title of publication | Chiral PEPPSI Complexes: Synthesis, Characterization, and Application in Asymmetric Suzuki‒Miyaura Coupling Reactions |
Authors of publication | Benhamou, Laure; Besnard, Céline; Kündig, E. Peter |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 260 |
a | 9.21749 ± 0.00008 Å |
b | 18.33429 ± 0.00017 Å |
c | 10.64812 ± 0.0001 Å |
α | 90° |
β | 90.5304 ± 0.0008° |
γ | 90° |
Cell volume | 1799.41 ± 0.03 Å3 |
Cell temperature | 180.1 K |
Ambient diffraction temperature | 180.1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0273 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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