Information card for entry 7017067

Structure parameters

• Common name: BODIPY
• Formula: C15 H15 B F2
• Calculated formula: C15 H15 B F2
• SMILES: CC1=C2C(C(=C1)C)=CC1=C(C=C(C1=[B]2(F)F)C)C
• 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: 7.6854 ± 0.0007 Å
• b: 14.2972 ± 0.0014 Å
• c: 11.4501 ± 0.0011 Å
• α: 90°
• β: 107.077 ± 0.001°
• γ: 90°
• Cell volume: 1202.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No