Information card for entry 4125249

Structure parameters

• Formula: C38 H49 F4 Mg N3 O
• Calculated formula: C38 H49 F4 Mg N3 O
• SMILES: [Mg]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(c1c(F)c(F)nc(F)c1F)[O]1CCCC1
• Title of publication: Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.
• Authors of publication: Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12763 - 12766
• a: 34.4121 ± 0.0008 Å
• b: 14.8141 ± 0.0003 Å
• c: 14.8714 ± 0.0004 Å
• α: 90°
• β: 100.005 ± 0.002°
• γ: 90°
• Cell volume: 7465.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No