Information card for entry 1557874

Structure parameters

• Formula: C28 H25 F6 N O4
• Calculated formula: C28 H25 F6 N O4
• Title of publication: Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
• Authors of publication: Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 5082 - 5088
• a: 11.7241 ± 0.0003 Å
• b: 12.3047 ± 0.0003 Å
• c: 18.3432 ± 0.0005 Å
• α: 90°
• β: 100.077 ± 0.001°
• γ: 90°
• Cell volume: 2605.4 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No