Information card for entry 4305287

Structure parameters

• Formula: C20 H27 B O2
• Calculated formula: C20 H27 B O2
• Title of publication: Fluorescent Boron Bis(phenolate) with Association Response to Chloride and Dissociation Response to Fluoride
• Authors of publication: Ewan Galbraith; Thomas M. Fyles; Frank Marken; Matthew G. Davidson; Tony D. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6236 - 6244
• a: 12.012 ± 0.0001 Å
• b: 14.42 ± 0.0001 Å
• c: 21.964 ± 0.0002 Å
• α: 90°
• β: 105.101 ± 0.001°
• γ: 90°
• Cell volume: 3673.08 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No