Information card for entry 7223075

Structure parameters

• Formula: C22 H18 B0.5 N2.5
• Calculated formula: C22 H18 B0.5 N2.5
• Title of publication: Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination.
• Authors of publication: Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 45
• Pages of publication: 30424 - 30432
• a: 20.669 ± 0.003 Å
• b: 13.906 ± 0.003 Å
• c: 12.406 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3565.8 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No