Information card for entry 4516641

Structure parameters

• Formula: C36 H34 B N
• Calculated formula: C36 H34 B N
• SMILES: n1(c2ccccc2c2c1cccc2)c1ccccc1B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.
• Authors of publication: Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 24035 - 24042
• a: 8.346 ± 0.0017 Å
• b: 18.245 ± 0.004 Å
• c: 17.714 ± 0.004 Å
• α: 90°
• β: 93.04 ± 0.03°
• γ: 90°
• Cell volume: 2693.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No