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Information card for entry 7111318
Preview
Coordinates | 7111318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H42 Cl2 Co P Pd S |
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Calculated formula | C49 H42 Cl2 Co P Pd S |
SMILES | [c]123[c]4([cH]5[cH]6[cH]1[Co]1782456[C]2(=[C]1([C]7(=[C]82c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd](Cl)(Cl)[S]3C(C)(C)C |
Title of publication | First planar chiral bidentate ligand based on a (?5-cyclopentadienyl)(?4-cyclobutadiene) cobalt backbone: high efficiency in enantioselective palladium-catalyzed allylic substitutionsElectronic supplementary information (ESI) available: crystal data and experimental details. See http://www.rsc.org/suppdata/cc/b4/b405342g/ |
Authors of publication | G�mez Array�s, Ram�n; Garc�a Manche�o, Olga; Carretero, Juan C. |
Journal of publication | Chemical Communications |
Year of publication | 2004 |
Journal issue | 14 |
Pages of publication | 1654 - 1655 |
a | 13.2114 ± 0.0001 Å |
b | 17.1528 ± 0.0002 Å |
c | 17.744 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4021.01 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7111318.html
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