Information card for entry 7019484

Structure parameters

• Formula: C23 H19 B N2
• Calculated formula: C23 H19 B N2
• SMILES: n12c(ccc1)C=[N](c1ccccc1)[B]2(c1ccccc1)c1ccccc1
• Title of publication: Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating.
• Authors of publication: Suresh, D.; Gomes, Clara S. B.; Gomes, Pedro T.; Di Paolo, Roberto E.; Maçanita, António L; Calhorda, Maria José; Charas, Ana; Morgado, Jorge; Teresa Duarte, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8502 - 8505
• a: 17.7637 ± 0.0016 Å
• b: 11.2623 ± 0.001 Å
• c: 18.0062 ± 0.0015 Å
• α: 90°
• β: 90.691 ± 0.005°
• γ: 90°
• Cell volume: 3602.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No