Information card for entry 7115932

Structure parameters

• Chemical name: 1,6 DAP-TP
• Formula: C84 H54 Cl8
• Calculated formula: C84 H54 Cl8
• Title of publication: Excimer formation in organic emitter films associated with a molecular orientation promoted by steric hindrance
• Authors of publication: Jaehyun Lee; Beomjin Kim; Ji Eon Kwon; Joonghan Kim; Daisuke Yokoyama; Katsuaki Suzuki; Hidetaka Nishimura; Atsushi Wakamiya; Soo Young Park; Jongwook Park
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14145
• a: 9.326 ± 0.002 Å
• b: 9.491 ± 0.002 Å
• c: 20.374 ± 0.007 Å
• α: 91.17 ± 0.03°
• β: 103.492 ± 0.011°
• γ: 115.22 ± 0.02°
• Cell volume: 1571.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No