Information card for entry 7125366

Structure parameters

• Formula: C41 H67 Mg N3 O
• Calculated formula: C41 H67 Mg N3 O
• 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: 9.3179 ± 0.0004 Å
• b: 12.5656 ± 0.0006 Å
• c: 18.0807 ± 0.0008 Å
• α: 70.915 ± 0.004°
• β: 81.783 ± 0.004°
• γ: 85.771 ± 0.004°
• Cell volume: 1979.25 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No