Information card for entry 1568189

Structure parameters

• Formula: C43 H58 B2 Li N O8
• Calculated formula: C43 H58 B2 Li N O8
• 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: 10.9511 ± 0.001 Å
• b: 24.516 ± 0.003 Å
• c: 15.2282 ± 0.0015 Å
• α: 90°
• β: 95.506 ± 0.008°
• γ: 90°
• Cell volume: 4069.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1892
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No