Information card for entry 7017066

Structure parameters

• Common name: Q-BODIPY
• Formula: C23 H24 B F2 N3 O2
• Calculated formula: C23 H24 B F2 N3 O2
• SMILES: c1(ccc(c2c1nccc2)C1=c2c(C)cc(C)[n]2[B](n2c(C)cc(C)c12)(F)F)O.CO
• Title of publication: BODIPY chromophores as efficient green light sensitizers for lanthanide-induced near-infrared emission.
• Authors of publication: Zhong, Yihan; Si, Liping; He, Hongshan; Sykes, Andrew G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11389 - 11395
• a: 8.3778 ± 0.0004 Å
• b: 10.1815 ± 0.0005 Å
• c: 13.4155 ± 0.0007 Å
• α: 105.12 ± 0.001°
• β: 97.661 ± 0.001°
• γ: 108.884 ± 0.001°
• Cell volume: 1015.12 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No