Information card for entry 1501963

Structure parameters

• Formula: C24 H35 I2 N O5
• Calculated formula: C24 H35 I2 N O5
• SMILES: [I-].I[C@@H]1[C@H]2[N+](CC1)([C@H]([C@H]1[C@@H]2OC(O1)(C)C)[C@@H](O)C(=O)OC(C)(C)C)[C@H](C)c1ccccc1
• Title of publication: Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.
• Authors of publication: Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1594 - 1597
• a: 8.3429 ± 0.0002 Å
• b: 8.7613 ± 0.0003 Å
• c: 9.7629 ± 0.0003 Å
• α: 96.9997 ± 0.0019°
• β: 101.396 ± 0.0018°
• γ: 96.5153 ± 0.0014°
• Cell volume: 687.36 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No