Information card for entry 1572074

Structure parameters

• Formula: C62 H55 B2 N3 Si
• Calculated formula: C62 H55 B2 N3 Si
• Title of publication: The forgotten borole: synthesis, properties and reactivity of a 1-boraindene.
• Authors of publication: Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 12496 - 12501
• a: 9.9393 ± 0.0002 Å
• b: 15.2431 ± 0.0002 Å
• c: 16.3736 ± 0.0003 Å
• α: 85.65 ± 0.001°
• β: 86.819 ± 0.002°
• γ: 89.362 ± 0.001°
• Cell volume: 2469.68 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No