Information card for entry 7105559

Structure parameters

• Formula: C19 H20 B F2 N3 O
• Calculated formula: C19 H20 B F2 N3 O
• SMILES: [B]1(F)(F)[n]2c(C)cc(C)c2=C(c2cc(c(cc2)O)N)c2c(C)cc(C)n12
• Title of publication: Specific Cu2±induced J-aggregation and Hg2±induced fluorescence enhancement based on BODIPY
• Authors of publication: Lu, Hua; Xue, Zhaoli; Mack, John; Shen, Zhen; You, Xiaozeng; Kobayashi, Nagao
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3565
• a: 15.941 ± 0.004 Å
• b: 7.683 ± 0.002 Å
• c: 18.761 ± 0.003 Å
• α: 90°
• β: 126.05 ± 0.02°
• γ: 90°
• Cell volume: 1857.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1616
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No