Information card for entry 1568183

Structure parameters

• Formula: C40 H68 B2 Li2 O6
• Calculated formula: C40 H68 B2 Li2 O6
• 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: 13.1281 ± 0.0009 Å
• b: 16.9849 ± 0.0016 Å
• c: 18.645 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4157.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No