Information card for entry 7156603

Structure parameters

• Formula: C27 H39 N3 O6
• Calculated formula: C27 H39 N3 O6
• Title of publication: Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.
• Authors of publication: Alkayar, Ziad T. I.; Coldham, Iain
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 66 - 73
• a: 10.8594 ± 0.0004 Å
• b: 7.3763 ± 0.0003 Å
• c: 15.5152 ± 0.0007 Å
• α: 90°
• β: 92.469 ± 0.003°
• γ: 90°
• Cell volume: 1241.65 ± 0.09 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: 0.0679
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No