Information card for entry 7153954

Structure parameters

• Formula: C25 H29 N O4 S
• Calculated formula: C25 H29 N O4 S
• SMILES: S(=O)(=O)(O[C@H]1C[C@@H]2N(C(=O)c3ccccc23)[C@@H](C1)C1CCCCC1)c1ccc(cc1)C.S(=O)(=O)(O[C@@H]1C[C@H]2N(C(=O)c3ccccc23)[C@H](C1)C1CCCCC1)c1ccc(cc1)C
• Title of publication: Stereoselective synthesis of O-tosyl azabicyclic derivatives via aza Prins reaction of endocyclic N-acyliminium ions: application to the total synthesis of (±)-epi-indolizidine 167B and 209D.
• Authors of publication: Saikia, Anil K.; Indukuri, Kiran; Das, Jagadish
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 36
• Pages of publication: 7026 - 7035
• a: 10.812 ± 0.003 Å
• b: 11.923 ± 0.003 Å
• c: 18.961 ± 0.005 Å
• α: 90°
• β: 93.509 ± 0.009°
• γ: 90°
• Cell volume: 2439.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No