Information card for entry 1572072

Structure parameters

• Formula: C35 H30 B N
• Calculated formula: C35 H30 B N
• 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: 13.2512 ± 0.0002 Å
• b: 14.8632 ± 0.0001 Å
• c: 14.8307 ± 0.0002 Å
• α: 90°
• β: 113.055 ± 0.002°
• γ: 90°
• Cell volume: 2687.68 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No