Information card for entry 4085489

Structure parameters

• Formula: C48 H69 Mg N5 O
• Calculated formula: C48 H69 Mg N5 O
• SMILES: [Mg]1(O/C(=N\C(C)(C)C)N2C=C(CC(=C2)C)C)([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1cc(cc(c1)C)C
• Title of publication: Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates
• Authors of publication: Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2590
• a: 11.4752 ± 0.0001 Å
• b: 20.0367 ± 0.0002 Å
• c: 20.6247 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4742.14 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No