Information card for entry 1575386

Structure parameters

• Chemical name: 3-Xyl
• Formula: C28 H48 B3 N7
• Calculated formula: C28 H48 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: 19.2669 ± 0.0001 Å
• b: 10.9341 ± 0.0001 Å
• c: 30.2037 ± 0.0002 Å
• α: 90°
• β: 99.682 ± 0.001°
• γ: 90°
• Cell volume: 6272.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• 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: No
• Has Fobs: No