Information card for entry 7054068

Structure parameters

• Formula: C24 H16 B2 F4 N4 O2
• Calculated formula: C24 H16 B2 F4 N4 O2
• SMILES: [B]1(F)(F)[n]2cccc2=C(Oc2cccc(OC3=c4[n]([B](F)(F)n5c3ccc5)ccc4)c2)c2n1ccc2
• Title of publication: meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties
• Authors of publication: Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3579
• a: 9.9907 ± 0.0007 Å
• b: 10.7791 ± 0.0009 Å
• c: 11.2843 ± 0.0009 Å
• α: 81.573 ± 0.007°
• β: 66.188 ± 0.008°
• γ: 83.531 ± 0.007°
• Cell volume: 1097.84 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No