Information card for entry 4135135

Structure parameters

• Formula: C20 H25 I N2 O3
• Calculated formula: C20 H25 I 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: 11.5067 ± 0.0004 Å
• b: 11.7673 ± 0.0004 Å
• c: 15.5305 ± 0.0005 Å
• α: 102.988 ± 0.003°
• β: 97.945 ± 0.003°
• γ: 96.625 ± 0.003°
• Cell volume: 2005.91 ± 0.12 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0327
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No