Information card for entry 4069151

Structure parameters

• Formula: C32 H40 Mg N2 O
• Calculated formula: C32 H40 Mg N2 O
• SMILES: [Mg]1([n]2ccccc2c2[n]1cccc2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O(CC)CC
• 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: 11.6873 ± 0.0003 Å
• b: 14.1492 ± 0.0005 Å
• c: 18.433 ± 0.0006 Å
• α: 90°
• β: 105.589 ± 0.002°
• γ: 90°
• Cell volume: 2936.06 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No