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Information card for entry 4069146
Preview
Coordinates | 4069146.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H52 Mg2 O6 |
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Calculated formula | C40 H52 Mg2 O6 |
SMILES | [Mg](Cc1ccccc1)(Cc1ccccc1)([O]1CCOCC1)[O]1CC[O]([Mg](Cc2ccccc2)(Cc2ccccc2)[O]2CCOCC2)CC1 |
Title of publication | 1,4-Dioxane Adducts of Grignard Reagents: Synthesis, Ether Fragmentation Reactions, and Structural Diversity of Grignard Reagent/1,4-Dioxane Complexes |
Authors of publication | Langer, Jens; Krieck, Sven; Fischer, Reinald; Görls, Helmar; Walther, Dirk; Westerhausen, Matthias |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 19 |
Pages of publication | 5814 |
a | 7.9131 ± 0.0009 Å |
b | 9.8376 ± 0.0013 Å |
c | 12.2781 ± 0.0013 Å |
α | 96.614 ± 0.006° |
β | 94.747 ± 0.008° |
γ | 102.338 ± 0.007° |
Cell volume | 921.82 ± 0.19 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1249 |
Weighted residual factors for all reflections included in the refinement | 0.1486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4069146.html
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Users of the data should acknowledge the original authors of the
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