Information card for entry 4026280

Structure parameters

• Formula: C20 H16 B F2 N3 O
• Calculated formula: C20 H15.837 B F2 N3 O1.003
• Title of publication: 8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties
• Authors of publication: Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3774 - 3781
• a: 6.7062 ± 0.0004 Å
• b: 23.8749 ± 0.0015 Å
• c: 42.484 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6802.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No