Information card for entry 7017382

Structure parameters

• Formula: C41 H56 Mg N4
• Calculated formula: C41 H53 Mg N4
• SMILES: [Mg]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)C)[n]1ccc(cc1)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: 35.9897 ± 0.0012 Å
• b: 15.3126 ± 0.0003 Å
• c: 14.6944 ± 0.0005 Å
• α: 90°
• β: 105.416 ± 0.001°
• γ: 90°
• Cell volume: 7806.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No