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Information card for entry 7024915
Preview
Coordinates | 7024915.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H27 Al O3 S |
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Calculated formula | C21 H27 Al O3 S |
SMILES | [Al]12(Oc3c([S]2c2c(O1)c(cc(c2)C)C)cc(cc3C)C)([O]1CCCC1)C |
Title of publication | Aluminium complexes derived from tridentate thioetherbis(phenolate) ligands and their activity in Diels-Alder catalysis. |
Authors of publication | Tiempos-Flores, Norma; Metta-Magaña, Alejandro-José; Montiel-Palma, Virginia; Cortés-Llamas, Sara-Angélica; Muñoz-Hernández, Miguel-Angel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 18 |
Pages of publication | 4312 - 4320 |
a | 8.722 ± 0.002 Å |
b | 9.253 ± 0.002 Å |
c | 14.021 ± 0.004 Å |
α | 88.92 ± 0.004° |
β | 75.986 ± 0.004° |
γ | 67.374 ± 0.004° |
Cell volume | 1009.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1651 |
Weighted residual factors for all reflections included in the refinement | 0.19 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
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/7024915.html
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Users of the data should acknowledge the original authors of the
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