Information card for entry 4119182

Structure parameters

• Formula: C14 H26 Mg O3
• Calculated formula: C14 H26 Mg O3
• SMILES: [Mg](CC=C)(CC=C)([O]1CCCC1)[O]1CC[O](CC1)[Mg](CC=C)(CC=C)([O]1CCCC1)[O]1CCOCC1
• Title of publication: Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons
• Authors of publication: Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 811 - 821
• a: 12.773 ± 0.008 Å
• b: 8.873 ± 0.006 Å
• c: 14.54 ± 0.009 Å
• α: 90°
• β: 112.157 ± 0.008°
• γ: 90°
• Cell volume: 1526.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No