Information card for entry 7125368

Structure parameters

• Formula: C41 H51 Mg N3
• Calculated formula: C41 H51 Mg N3
• Title of publication: Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.
• Authors of publication: Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 30
• Pages of publication: 4339 - 4342
• a: 18.4812 ± 0.0009 Å
• b: 18.3287 ± 0.001 Å
• c: 10.6762 ± 0.0005 Å
• α: 90°
• β: 90.832 ± 0.004°
• γ: 90°
• Cell volume: 3616 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No