Information card for entry 4135132

Structure parameters

• Formula: C19 H21 F3 N2 O3
• Calculated formula: C19 H21 F3 N2 O3
• Title of publication: Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.
• Authors of publication: Andres, Rémi; Wang, Qian; Zhu, Jieping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.5941 ± 0.001 Å
• b: 11.684 ± 0.003 Å
• c: 11.764 ± 0.003 Å
• α: 91.79 ± 0.017°
• β: 97.291 ± 0.019°
• γ: 102.179 ± 0.017°
• Cell volume: 1010.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2212
• 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: Yes
• Has Fobs: No