Information card for entry 7160297

Structure parameters

• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• Title of publication: Total synthesis of the taraxacine A natural product <i>via</i> Ag(I)-catalysed imidate-alkyne cyclization.
• Authors of publication: Zalte, Rajesh R.; Festa, Alexey A.; Demidov, Sergei A.; Awuku, Samuel O.; Golubenkova, Alexandra S.; Mironov, Yuri Yu; Golantsov, Nikita E.; Storozhenko, Olga A.; Novikov, Anton P.; Voskressensky, Leonid G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1386 - 1393
• a: 15.7758 ± 0.0014 Å
• b: 5.9637 ± 0.0006 Å
• c: 15.5467 ± 0.0014 Å
• α: 90°
• β: 92.558 ± 0.004°
• γ: 90°
• Cell volume: 1461.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No