Information card for entry 7213400

Structure parameters

• Formula: C24 H24 N4
• Calculated formula: C24 H24 N4
• Title of publication: Photoreactions of β-aziridinylacrylonitrile. 1,3-Dipolar cycloadditions of photoinduced azomethine ylide
• Authors of publication: Ishii, Keitaro; Shimada, Yukio; Sugiyama, Shigeo; Noji, Masahiro
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3022
• a: 18.906 ± 0.002 Å
• b: 5.616 ± 0.006 Å
• c: 20.119 ± 0.002 Å
• α: 90°
• β: 97.916 ± 0.008°
• γ: 90°
• Cell volume: 2116 ± 2 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No