Information card for entry 1575379

Structure parameters

• Chemical name: 1
• Formula: C19 H39 B3 N6
• Calculated formula: C19 H39 B3 N6
• 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: 7.8771 ± 0.0001 Å
• b: 19.8671 ± 0.0002 Å
• c: 15.1839 ± 0.0002 Å
• α: 90°
• β: 97.351 ± 0.001°
• γ: 90°
• Cell volume: 2356.68 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No