Information card for entry 7054340

Structure parameters

• Formula: C25 H20 B2 Cl2 F4 N6
• Calculated formula: C25 H20 B2 Cl2 F4 N6
• SMILES: [B]1(F)(F)[n]2cccc2=C(c2cccn12)Nc1c(NC2=c3ccc[n]3[B](F)(F)n3c2ccc3)cccc1.ClCCl
• 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: 10.7934 ± 0.0002 Å
• b: 15.9368 ± 0.0002 Å
• c: 14.8791 ± 0.0002 Å
• α: 90°
• β: 105.658 ± 0.002°
• γ: 90°
• Cell volume: 2464.41 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7054069
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No