Information card for entry 4069147

Structure parameters

• Formula: C30 H48 Mg2 O6
• Calculated formula: C30 H48 Mg2 O6
• SMILES: [O]1(CCOCC1)[Mg]1(c2c(cc(cc2C)C)C)[O](CC)[Mg]([O]1CC)([O]1CCOCC1)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: 18.312 ± 0.0009 Å
• b: 18.312 ± 0.0009 Å
• c: 25.8739 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7513.9 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No