Information card for entry 7220845

Structure parameters

• Formula: C27 H23 N O4
• Calculated formula: C27 H23 N O4
• Title of publication: New Insight into the Photo-induced Electron Transfer with a Simple Ubiquinone-based Triphenylamine Model
• Authors of publication: Liu, Xiao-Yuan; Long, Yi-Tao; Tian, He
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.7269 ± 0.0019 Å
• b: 7.7811 ± 0.0015 Å
• c: 28.607 ± 0.005 Å
• α: 90°
• β: 95.907 ± 0.004°
• γ: 90°
• Cell volume: 2153.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No