Information card for entry 7233076

Structure parameters

• Formula: C20 H23 B F2 N2 Si
• Calculated formula: C20 H23 B F2 N2 Si
• SMILES: [Si](c1ccc(C2=c3[n]([B](F)(F)n4c2ccc4C)c(cc3)C)cc1)(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: 9.301 ± 0.004 Å
• b: 12.332 ± 0.005 Å
• c: 17.567 ± 0.007 Å
• α: 90°
• β: 103.82 ± 0.009°
• γ: 90°
• Cell volume: 1956.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3129
• Residual factor for significantly intense reflections: 0.1272
• Weighted residual factors for significantly intense reflections: 0.3024
• Weighted residual factors for all reflections included in the refinement: 0.3528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No