Information card for entry 4069146

Structure parameters

• Formula: C40 H52 Mg2 O6
• 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 ų
• 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