Information card for entry 4069148

Structure parameters

• Formula: C26 H40 Mg O2
• Calculated formula: C26 H40 Mg O2
• SMILES: [Mg]1([O](CC)[C@H]([C@@H]([O]1CC)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Mg]1([O](CC)[C@@H]([C@H]([O]1CC)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 13.9143 ± 0.0005 Å
• b: 14.0687 ± 0.0005 Å
• c: 19.7294 ± 0.0006 Å
• α: 93.156 ± 0.002°
• β: 97.783 ± 0.002°
• γ: 97.56 ± 0.002°
• Cell volume: 3782.9 ± 0.2 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: 0.1758
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.3296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No