Information card for entry 1577063

Structure parameters

• Formula: C26 H22 B N O
• Calculated formula: C26 H22 B N O
• Title of publication: The Acylative Kinetic Resolution of 1,2-Azaborine Naphthols
• Authors of publication: Prindl, Martha I.; McKay, Aidan P.; Cordes, David Bradford; Smith, Andrew D.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.6777 ± 0.0002 Å
• b: 11.3747 ± 0.0002 Å
• c: 10.359 ± 0.0003 Å
• α: 90°
• β: 108.099 ± 0.002°
• γ: 90°
• Cell volume: 971.91 ± 0.04 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No