Information card for entry 1502870

Structure parameters

• Formula: C40 H28 B2 F4 N2 O2
• Calculated formula: C40 H28 B2 F4 N2 O2
• SMILES: [B]1(F)(F)[N](=Cc2c(c3ccc4c5c3c(ccc5ccc4)c2)O1)[C@@H]1CCCC[C@H]1[N]1[B](F)(F)Oc2c3ccc4c5c3c(ccc5ccc4)cc2C=1
• Title of publication: Novel bi-nuclear boron complex with pyrene ligand: red-light emitting as well as electron transporting material in organic light-emitting diodes.
• Authors of publication: Zhou, Ying; Kim, Ji Whan; Kim, Min Jung; Son, Won-Joon; Han, Su Jung; Kim, Ha Na; Han, Seungwu; Kim, Youngmee; Lee, Chongmok; Kim, Sung-Jin; Kim, Dong Ha; Kim, Jang-Joo; Yoon, Juyoung
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1272 - 1275
• a: 11.123 ± 0.002 Å
• b: 13.112 ± 0.003 Å
• c: 21.321 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3109.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No