Information card for entry 7035936

Structure parameters

• Common name: dibm
• Formula: C50 H34 B2 N4 O2
• Calculated formula: C50 H34 B2 N4 O2
• SMILES: O1c2ccccc2c2[n]([B]31c1c([B]4([n]5c6ccccc6n(c6ccccc6)c5c5ccccc5O4)c4c3cccc4)cccc1)c1ccccc1n2c1ccccc1
• Title of publication: Diboron complexes with bis-spiro structures as high-performance blue emitters for OLEDs.
• Authors of publication: Zhang, Zhenyu; Zhang, Zuolun; Ye, Kaiqi; Zhang, Jingying; Zhang, Hongyu; Wang, Yue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14436 - 14443
• a: 23.44 ± 0.005 Å
• b: 9.4816 ± 0.0019 Å
• c: 18.355 ± 0.004 Å
• α: 90°
• β: 110.48 ± 0.03°
• γ: 90°
• Cell volume: 3821.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No