Information card for entry 7036272

Structure parameters

• Formula: C36 H25 B2 F4 N5
• Calculated formula: C36 H25 B2 F4 N5
• SMILES: [B]1(F)(F)[n]2cccc2=C(c2cccn12)c1ccc(N(c2ccccc2)c2ccc(C3=c4ccc[n]4[B](F)(F)n4c3ccc4)cc2)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: 25.107 ± 0.013 Å
• b: 9.399 ± 0.004 Å
• c: 13.496 ± 0.007 Å
• α: 90°
• β: 110.599 ± 0.006°
• γ: 90°
• Cell volume: 2981 ± 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No