Information card for entry 7035935

Structure parameters

• Common name: dippy
• Formula: C34 H24 B2 N2 O2
• Calculated formula: C34 H24 B2 N2 O2
• SMILES: O1c2c(c3[n]([B]41c1c([B]5([n]6c(c7c(O5)cccc7)cccc6)c5ccccc45)cccc1)cccc3)cccc2
• 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: 11.169 ± 0.002 Å
• b: 16.752 ± 0.003 Å
• c: 14.317 ± 0.003 Å
• α: 90°
• β: 106.57 ± 0.03°
• γ: 90°
• Cell volume: 2567.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No