Information card for entry 4126276

Structure parameters

• Formula: C40 H52 Mg N3 O
• Calculated formula: C40 H52 Mg N3 O
• Title of publication: Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.
• Authors of publication: Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.88039 ± 0.00016 Å
• b: 11.90132 ± 0.00012 Å
• c: 21.61 ± 0.0002 Å
• α: 90°
• β: 100.007 ± 0.0011°
• γ: 90°
• Cell volume: 3515.56 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No