Information card for entry 7115854

Structure parameters

• Formula: C32 H65 B10 Li N4 O2
• Calculated formula: C32 H65 B10 Li N4 O2
• Title of publication: Unprecedented formation of polycyclic diazadiborepine derivatives through cage deboronation of m-carborane
• Authors of publication: Nicole Harmgarth; Cristian G. Hrib; Volker Lorenz; Liane Hilfert; Frank T. Edelmann
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13239
• a: 10.7877 ± 0.0002 Å
• b: 12.047 ± 0.0002 Å
• c: 36.7599 ± 0.0003 Å
• α: 91.572 ± 0.001°
• β: 90.358 ± 0.001°
• γ: 109.925 ± 0.002°
• Cell volume: 4489.02 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No