Information card for entry 4135138

Structure parameters

• Formula: C18 H20 N2 O
• Calculated formula: C18 H20 N2 O
• 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: 6.93221 ± 0.00011 Å
• b: 7.41652 ± 0.00012 Å
• c: 13.7616 ± 0.0003 Å
• α: 90°
• β: 92.0002 ± 0.0016°
• γ: 90°
• Cell volume: 707.09 ± 0.02 ų
• Cell temperature: 139.9 ± 0.4 K
• Ambient diffraction temperature: 139.9 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No