Information card for entry 7233079

Structure parameters

• Formula: C22 H27 B F2 N2 Si
• Calculated formula: C22 H27 B F2 N2 Si
• SMILES: [Si](c1cccc(C2=c3[n]([B](F)(F)n4c2c(cc4C)C)c(cc3C)C)c1)(C)(C)C
• Title of publication: Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure
• Authors of publication: Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy
• Journal of publication: JOURNAL OF MATERIALS CHEMISTRY C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4691 - 4698
• a: 30.7303 ± 0.0015 Å
• b: 6.5809 ± 0.0003 Å
• c: 20.933 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4233.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No