Information card for entry 7160827

Structure parameters

• Formula: C11 H14 B N
• Calculated formula: C11 H14 B N
• Title of publication: 1,2-Migratory ring expansion of a BN-naphthalene.
• Authors of publication: Mediavilla, Braden A.; Siegler, Maxime A.; Klausen, Rebekka S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 45
• Pages of publication: 10321 - 10329
• a: 5.80606 ± 0.00012 Å
• b: 7.55044 ± 0.00015 Å
• c: 11.4439 ± 0.0002 Å
• α: 90°
• β: 96.1273 ± 0.0019°
• γ: 90°
• Cell volume: 498.815 ± 0.017 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No