Information card for entry 4514070

Structure parameters

• Formula: C38 H29 F3 N O
• Calculated formula: C38 H29 F3 N O
• Title of publication: Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles
• Authors of publication: Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• a: 15.083 ± 0.002 Å
• b: 14.7314 ± 0.0019 Å
• c: 26.284 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5840.1 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No