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Information card for entry 4066980
Preview
Coordinates | 4066980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 Cl I2 N3 Pd |
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Calculated formula | C17 H18 Cl I2 N3 Pd |
SMILES | [Pd](=C1N(C=CN1c1ccccc1)C(C)C)(I)(I)[n]1cc(ccc1)Cl |
Title of publication | Abnormal N-Heterocyclic Carbene Promoted Suzuki−Miyaura Coupling Reaction: A Comparative Study |
Authors of publication | Xu, Xiangya; Xu, Baochang; Li, Yongxin; Hong, Soon Hyeok |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6343 |
a | 14.9614 ± 0.0009 Å |
b | 8.8691 ± 0.0006 Å |
c | 16.6518 ± 0.0011 Å |
α | 90° |
β | 108.87 ± 0.003° |
γ | 90° |
Cell volume | 2090.8 ± 0.2 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1708 |
Weighted residual factors for all reflections included in the refinement | 0.1807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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