Information card for entry 7160828

Structure parameters

• Formula: C18 H20 B N
• Calculated formula: C18 H20 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: 9.63386 ± 0.00007 Å
• b: 8.72627 ± 0.00008 Å
• c: 36.3137 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3052.81 ± 0.04 ų
• Cell temperature: 243 ± 0.1 K
• Ambient diffraction temperature: 243 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No