Information card for entry 4338342

Structure parameters

• Formula: C35 H36 B2 F2 N2
• Calculated formula: C35 H36 B2 F2 N2
• SMILES: c1(c(cc(cc1C)C)C)B(c1c(cc(cc1C)C)C)c1cccc(C2=c3ccc(C)[n]3[B](F)(F)n3c2ccc3C)c1
• 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: 8.3027 ± 0.0011 Å
• b: 11.366 ± 0.0016 Å
• c: 16.543 ± 0.002 Å
• α: 80.372 ± 0.009°
• β: 80.281 ± 0.009°
• γ: 70.038 ± 0.009°
• Cell volume: 1436.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2178
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No