Information card for entry 7711045

Structure parameters

• Formula: C24 H18 B2 O2
• Calculated formula: C24 H18 B2 O2
• Title of publication: Late-stage derivatization of a (B,O)2-doped perylene
• Authors of publication: Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.1295 ± 0.0016 Å
• b: 4.8835 ± 0.0008 Å
• c: 18.636 ± 0.003 Å
• α: 90°
• β: 102.228 ± 0.013°
• γ: 90°
• Cell volume: 901 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No