Information card for entry 7233077

Structure parameters

• Formula: C20 H23 B F2 N2 Si
• Calculated formula: C20 H23 B F2 N2 Si
• SMILES: C1(=c2ccc(C)[n]2[B](n2c1ccc2C)(F)F)c1ccccc1[Si](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: 6.88 ± 0.003 Å
• b: 10.87 ± 0.005 Å
• c: 26.448 ± 0.012 Å
• α: 90°
• β: 93.084 ± 0.009°
• γ: 90°
• Cell volume: 1975.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No