Information card for entry 1571248

Structure parameters

• Formula: C18 H22 N2 O3
• Calculated formula: C18 H22 N2 O3
• Title of publication: Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.
• Authors of publication: Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5730 - 5737
• a: 8.9869 ± 0.0006 Å
• b: 9.3453 ± 0.0005 Å
• c: 11.174 ± 0.0006 Å
• α: 83.313 ± 0.005°
• β: 81.185 ± 0.005°
• γ: 61.479 ± 0.006°
• Cell volume: 813.81 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No