Information card for entry 4338343

Structure parameters

• Formula: C37 H40 B2 F2 N2
• Calculated formula: C37 H40 B2 F2 N2
• SMILES: c1c(C)cc(c(c1C)B(c1cc(C2=c3c(C)cc(C)[n]3[B](n3c(cc(c23)C)C)(F)F)ccc1)c1c(cc(cc1C)C)C)C
• Title of publication: Multichannel-Emissive V-Shaped Boryl-BODIPY Dyads: Synthesis, Structure, and Remarkably Diverse Response toward Fluoride.
• Authors of publication: Swamy P, Chinna Ayya; Mukherjee, Sanjoy; Thilagar, Pakkirisamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4813 - 4823
• a: 20.3206 ± 0.0014 Å
• b: 11.9014 ± 0.0009 Å
• c: 13.1195 ± 0.0009 Å
• α: 90°
• β: 91.995 ± 0.004°
• γ: 90°
• Cell volume: 3170.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No