Information card for entry 1540190

Structure parameters

• Formula: C37 H49 Mg N3 O
• Calculated formula: C37 H49 Mg N3 O
• Title of publication: Magnesium-catalysed nitrile hydroboration
• Authors of publication: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 628
• a: 12.741 ± 0.0002 Å
• b: 12.948 ± 0.0002 Å
• c: 20.76 ± 0.0003 Å
• α: 90°
• β: 92.575 ± 0.001°
• γ: 90°
• Cell volume: 3421.33 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0837
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No