Information card for entry 7005291

Structure parameters

• Formula: C21 H6 B F10 N O
• Calculated formula: C21 H6 B F10 N O
• SMILES: [B]1([n]2cccc3cccc(O1)c23)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and characterisation of luminescent fluorinated organoboron compounds.
• Authors of publication: Ugolotti, Juri; Hellstrom, Sondra; Britovsek, George J. P.; Jones, Tim S.; Hunt, Patricia; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1425 - 1432
• a: 15.3409 ± 0.0013 Å
• b: 7.8053 ± 0.0006 Å
• c: 15.4746 ± 0.0014 Å
• α: 90°
• β: 96.164 ± 0.007°
• γ: 90°
• Cell volume: 1842.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No