Information card for entry 7017383

Structure parameters

• Formula: C43 H60 Mg N4
• Calculated formula: C43 H60 Mg N4
• SMILES: [Mg]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(N1C=C(CC(=C1)C)C)[n]1cc(cc(c1)C)C
• Title of publication: Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.
• Authors of publication: Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12500 - 12509
• a: 10.5988 ± 0.0001 Å
• b: 18.1105 ± 0.0002 Å
• c: 21.0057 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4032.04 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No