Information card for entry 7036270

Structure parameters

• Formula: C24 H16 B2 F4 N4
• Calculated formula: C24 H16 B2 F4 N4
• SMILES: C1(=c2ccc[n]2[B](F)(F)n2cccc12)c1ccc(C2=c3ccc[n]3[B](F)(F)n3c2ccc3)cc1
• 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: 6.06279 ± 0.00019 Å
• b: 11.7071 ± 0.0004 Å
• c: 14.5542 ± 0.0005 Å
• α: 90°
• β: 96.26 ± 0.007°
• γ: 90°
• Cell volume: 1026.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No