Information card for entry 4021608

Structure parameters

• Formula: C23 H22 B F2 N3 O2
• Calculated formula: C23 H22 B F2 N3 O2.01
• Title of publication: New BODIPY Derivatives as OFF-ON Fluorescent Chemosensor and Fluorescent Chemodosimeter for Cu^2+^: Cooperative Selectivity Enhancement toward Cu^2+^
• Authors of publication: Xin Qi; Eun Jin Jun; Li Xu; Sung-Jin Kim; Jay Sung Joong Hong; Yeo Joon Yoon; Juyoung Yoon
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2881 - 2884
• a: 14.3644 ± 0.0011 Å
• b: 7.036 ± 0.0006 Å
• c: 21.5242 ± 0.0018 Å
• α: 90°
• β: 90.866 ± 0.002°
• γ: 90°
• Cell volume: 2175.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No