Information card for entry 1575385

Structure parameters

• Chemical name: 3-Cy
• Formula: C26 H50 B3 N7
• Calculated formula: C26 H50 B3 N7
• Title of publication: Atom-efficient synthesis of BN-heterocycles from oligoboranes and isonitriles.
• Authors of publication: Hensiek, Nicola; Duwe, Dario; Arrowsmith, Merle; Michel, Maximilian; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14721 - 14724
• a: 10.7176 ± 0.0002 Å
• b: 11.7085 ± 0.0002 Å
• c: 13.7152 ± 0.0002 Å
• α: 89.193 ± 0.001°
• β: 72.714 ± 0.001°
• γ: 65.345 ± 0.001°
• Cell volume: 1481.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• 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