Information card for entry 7115267

Structure parameters

• Formula: C24 H16 B2 N2 O
• Calculated formula: C24 H16 B2 N2 O
• Title of publication: Boron-nitrogen substituted perylene obtained through photocyclisation
• Authors of publication: Matthias Muller; Stefan Behnle; Cacilia Maichle-Mossmer; Holger F. Bettinger
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7821
• a: 5.2893 ± 0.0003 Å
• b: 15.6927 ± 0.0008 Å
• c: 20.2458 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680.47 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No