Information card for entry 7128980

Structure parameters

• Formula: C19 H21 N3 O2
• Calculated formula: C19 H21 N3 O2
• 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: 7.554 ± 0.005 Å
• b: 7.8 ± 0.005 Å
• c: 15.305 ± 0.01 Å
• α: 96.293 ± 0.019°
• β: 90.202 ± 0.018°
• γ: 99.553 ± 0.018°
• Cell volume: 883.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No