Information card for entry 7152899

Structure parameters

• Formula: C25 H37 N O6
• Calculated formula: C25 H37 N O6
• SMILES: O1[C@@H]2[C@@H](OC1(C)C)C=CCCN([C@H]2[C@@H](O)C(=O)OC(C)(C)C)[C@@H](c1ccc(OC)cc1)C
• Title of publication: Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.
• Authors of publication: Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3187 - 3202
• a: 9.0523 ± 0.0001 Å
• b: 11.9795 ± 0.0002 Å
• c: 22.5183 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.93 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No