Information card for entry 7128232

Structure parameters

• Formula: C58 H47 B F20 Mg N2
• Calculated formula: C58 H47 B F20 Mg N2
• Title of publication: Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.
• Authors of publication: Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 43
• Pages of publication: 5278 - 5281
• a: 15.9261 ± 0.0002 Å
• b: 20.4561 ± 0.0002 Å
• c: 17.1852 ± 0.0002 Å
• α: 90°
• β: 106.937 ± 0.0014°
• γ: 90°
• Cell volume: 5355.86 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No