Information card for entry 7218206

Structure parameters

• Formula: C18 H18 B F2 N3
• Calculated formula: C18 H18 B F2 N3
• SMILES: c1cc(ccn1)C1=c2c(C)cc(C)[n]2[B](n2c(C)cc(C)c12)(F)F
• Title of publication: Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
• Authors of publication: Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 23884 - 23894
• a: 24.7836 ± 0.0017 Å
• b: 6.7289 ± 0.0003 Å
• c: 20.9423 ± 0.0013 Å
• α: 90°
• β: 114.264 ± 0.008°
• γ: 90°
• Cell volume: 3184 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No