Information card for entry 7233745

Structure parameters

• Formula: C21 H23 B F2 N2 O
• Calculated formula: C21 H23 B F2 N2 O
• SMILES: F[B]1(F)[n]2c(C)cc(C)c2=C(c2n1c(cc2C)C)c1ccc(OCC)cc1
• Title of publication: Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs
• Authors of publication: Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 5471 - 5478
• a: 8.0768 ± 0.0016 Å
• b: 9.6024 ± 0.0019 Å
• c: 24.077 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.3 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No