Information card for entry 4338341

Structure parameters

• Formula: C35 H0.5 B2 F2 N2
• Calculated formula: C33 H32 B2 F2 N2
• SMILES: F[B]1(F)[n]2c(ccc2)=C(c2cc(B(c3c(C)cc(cc3C)C)c3c(cc(cc3C)C)C)ccc2)c2n1ccc2
• 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: 10.859 ± 0.005 Å
• b: 11.642 ± 0.005 Å
• c: 13.179 ± 0.005 Å
• α: 67.298 ± 0.005°
• β: 67.374 ± 0.005°
• γ: 89.883 ± 0.005°
• Cell volume: 1397.6 ± 1 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: 0.2799
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No