Information card for entry 1568182

Structure parameters

• Formula: C28 H42 B3 Na O4
• Calculated formula: C28 H42 B3 Na O4
• Title of publication: Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.
• Authors of publication: Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 849 - 860
• a: 9.6203 ± 0.0008 Å
• b: 16.4732 ± 0.001 Å
• c: 18.2301 ± 0.0013 Å
• α: 90°
• β: 90.025 ± 0.006°
• γ: 90°
• Cell volume: 2889.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No