Information card for entry 4128229

Structure parameters

• Formula: C18 H20 N2 O
• Calculated formula: C18 H20 N2 O
• SMILES: O=C1[C@H]([C@]23c4c(N=C2[C@]2(N(CC[C@@H]12)CC3)C)cccc4)C
• Title of publication: Total Synthesis of (+)-Arborisidine.
• Authors of publication: Zhou, Zhiyao; Gao, Alison X.; Snyder, Scott A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7715 - 7720
• a: 6.9349 ± 0.0003 Å
• b: 7.4039 ± 0.0003 Å
• c: 13.677 ± 0.0005 Å
• α: 90°
• β: 91.735 ± 0.002°
• γ: 90°
• Cell volume: 701.93 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No