Information card for entry 4132609

Structure parameters

• Formula: C20 H27 N O6
• Calculated formula: C20 H27 N O6
• Title of publication: Total Synthesis of Isodihydrokoumine, (19 Z)-Taberpsychine, and (4 R)-Isodihydroukoumine N₄-Oxide.
• Authors of publication: Kerkovius, Jeff K.; Kerr, Michael A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 27
• Pages of publication: 8415 - 8419
• a: 9.816 ± 0.003 Å
• b: 18.649 ± 0.004 Å
• c: 11.003 ± 0.002 Å
• α: 90°
• β: 98.09 ± 0.006°
• γ: 90°
• Cell volume: 1994.1 ± 0.8 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0927
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No