Information card for entry 7233747

Structure parameters

• Formula: C25 H31 B F2 N2 O3
• Calculated formula: C25 H31 B F2 N2 O3
• SMILES: F[B]1(F)[n]2c(C)cc(C)c2=C(c2n1c(cc2C)C)c1ccc(OCCOCCOCC)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: 7.9161 ± 0.0016 Å
• b: 12.051 ± 0.002 Å
• c: 12.96 ± 0.003 Å
• α: 73.25 ± 0.03°
• β: 77.85 ± 0.03°
• γ: 85.14 ± 0.03°
• Cell volume: 1157 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No