Information card for entry 7036271

Structure parameters

• Formula: C24 H16 B2 F4 N4
• Calculated formula: C24 H16 B2 F4 N4
• SMILES: [B]1(F)([n]2c(ccc2)=C(c2n1ccc2)c1cc(C2=c3ccc[n]3[B](F)(F)n3c2ccc3)ccc1)F
• Title of publication: Bridged bis-BODIPYs: their synthesis, structures and properties.
• Authors of publication: Kesavan, Praseetha E.; Das, Sudipta; Lone, Mohsin Y.; Jha, Prakash C.; Mori, Shigeki; Gupta, Iti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17209 - 17221
• a: 13.0203 ± 0.0003 Å
• b: 10.333 ± 0.0002 Å
• c: 15.098 ± 0.002 Å
• α: 90°
• β: 90.005 ± 0.009°
• γ: 90°
• Cell volume: 2031.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No