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Information card for entry 4070116
Preview
Coordinates | 4070116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H46 F3 I N3 O4 P Pd S |
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Calculated formula | C46 H46 F3 I N3 O4 P Pd S |
SMILES | [Pd](=C1N(c2c(cccc2C)C)C(Nc2c1cccc2)(C)C)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C)C.C(F)(F)(F)S(=O)(=O)[O-].O |
Title of publication | Synthesis of 1,2-Dihydroquinazolinium-4-yl Palladium Complexes through a Cyclization Reaction |
Authors of publication | Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio J.; Bautista, Delia |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 20 |
Pages of publication | 5915 |
a | 9.8654 ± 0.0005 Å |
b | 13.2407 ± 0.0006 Å |
c | 16.9801 ± 0.0008 Å |
α | 82.16 ± 0.002° |
β | 84.779 ± 0.003° |
γ | 86.69 ± 0.002° |
Cell volume | 2185.86 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections included in the refinement | 0.0698 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4070116.html
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