Information card for entry 4072410

Structure parameters

• Formula: C45 H63 B F N
• Calculated formula: C45 H63 B F N
• Title of publication: Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene
• Authors of publication: Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6446
• a: 18.9303 ± 0.0013 Å
• b: 23.0165 ± 0.0015 Å
• c: 19.0849 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8315.5 ± 1 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No