Information card for entry 7131147

Structure parameters

• Formula: C38 H54 Cu N3 O
• Calculated formula: C38 H54 Cu N3 O
• Title of publication: Selective hydroboration of electron-rich isocyanates by an NHC-copper(I) alkoxide.
• Authors of publication: English, Laura E.; Horsley Downie, Thomas M.; Lyall, Catherine L.; Mahon, Mary F.; McMullin, Claire L.; Neale, Samuel E.; Saunders, Carla M.; Liptrot, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 8
• Pages of publication: 1074 - 1077
• a: 11.5493 ± 0.0001 Å
• b: 16.0557 ± 0.0001 Å
• c: 19.4851 ± 0.0002 Å
• α: 90°
• β: 94.45 ± 0.001°
• γ: 90°
• Cell volume: 3602.27 ± 0.05 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: 0.0321
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No