Information card for entry 7026966

Structure parameters

• Formula: C39 H52 Mg N4
• Calculated formula: C39 H52 Mg N4
• Title of publication: Magnesium hydride-promoted dearomatisation of pyridine.
• Authors of publication: Hill, Michael S.; MacDougall, Dugald J.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11129 - 11131
• a: 9.6737 ± 0.0002 Å
• b: 18.2623 ± 0.0004 Å
• c: 20.6525 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3648.55 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No