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Information card for entry 4071977
Preview
Coordinates | 4071977.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C32 H38 Br2 N2 O9 P S |
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Calculated formula | C32 H28 Br2 N2 O9 P S |
SMILES | Brc1ccc([C@H]([C@@H](N(P(=S)(c2ccccc2)c2ccccc2)C)c2ccc(Br)cc2)[NH2+]C)cc1.C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.O.O.O |
Title of publication | Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions |
Authors of publication | Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 22 |
Pages of publication | 5997 |
a | 7.0672 ± 0.0003 Å |
b | 11.0184 ± 0.0013 Å |
c | 46.319 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3606.8 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1047 |
Goodness-of-fit parameter for significantly intense reflections | 1.29 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation wavelength | 0.71069 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/4071977.html
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