Information card for entry 7128984

Structure parameters

• Formula: C25 H25 N3
• Calculated formula: C25 H25 N3
• SMILES: N1(N=N(=C(/C1=C\c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)C
• Title of publication: Dioxygenation of unprotected mesoionic N‑heterocyclic olefins
• Authors of publication: Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 25.226 ± 0.009 Å
• b: 45.845 ± 0.016 Å
• c: 7.02 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8119 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No