Information card for entry 7038206

Structure parameters

• Formula: C61 H42 B2 F20 N2
• Calculated formula: C61 H42 B2 F20 N2
• Title of publication: Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.
• Authors of publication: Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4580 - 4587
• a: 17.8626 ± 0.0006 Å
• b: 9.9345 ± 0.0003 Å
• c: 30.455 ± 0.001 Å
• α: 90°
• β: 102.414 ± 0.002°
• γ: 90°
• Cell volume: 5278.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No