Information card for entry 7054338

Structure parameters

• Formula: C27 H24 B2 F4 N6 O
• Calculated formula: C27 H24 B2 F4 N6 O
• SMILES: F[B]1(F)[n]2cccc2=C(Nc2cccc(NC3=c4[n]([B](F)(F)n5c3ccc5)ccc4)c2)c2n1ccc2.C(=O)(C)C
• 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: 14.2703 ± 0.0002 Å
• b: 8.2079 ± 0.0001 Å
• c: 22.8846 ± 0.0002 Å
• α: 90°
• β: 104.578 ± 0.001°
• γ: 90°
• Cell volume: 2594.16 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7054067
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No