Information card for entry 7128233

Structure parameters

• Formula: C63 H53 B F20 Mg N2
• Calculated formula: C63 H53 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: 12.5647 ± 0.0006 Å
• b: 13.9361 ± 0.0006 Å
• c: 18.4496 ± 0.0004 Å
• α: 97.935 ± 0.003°
• β: 98.421 ± 0.003°
• γ: 115.012 ± 0.004°
• Cell volume: 2823.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No