Information card for entry 7125367

Structure parameters

• Formula: C77 H98 Mg2 N10
• Calculated formula: C77 H98 Mg2 N10
• 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: 13.0738 ± 0.0004 Å
• b: 14.2398 ± 0.0005 Å
• c: 19.0456 ± 0.0006 Å
• α: 90°
• β: 92.872 ± 0.003°
• γ: 90°
• Cell volume: 3541.2 ± 0.2 ų
• Cell temperature: 123.4 K
• Ambient diffraction temperature: 123.4 K
• Number of distinct elements: 4
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No