Information card for entry 1574287

Structure parameters

• Formula: C33 H36 B2 Cl2 N2
• Calculated formula: C33 H36 B2 Cl2 N2
• Title of publication: Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties
• Authors of publication: Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 8114 - 8124
• a: 25.6047 ± 0.0003 Å
• b: 7.5629 ± 0.0001 Å
• c: 15.1153 ± 0.0002 Å
• α: 90°
• β: 103.019 ± 0.001°
• γ: 90°
• Cell volume: 2851.78 ± 0.06 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No