Information card for entry 4022939

Structure parameters

• Formula: C24 H27 N O5 S2
• Calculated formula: C24 H27 N O5 S2
• SMILES: N1(S(=O)(=O)c2ccccc2)[C@@]2(C[C@@H](OC)C=C[C@]2(SCC)CC1)c1cc2OCOc2cc1
• Title of publication: Approach to the Homoerythrina Alkaloids Using a Tandem N-Alkylation/Azomethine Ylide Cycloaddition
• Authors of publication: William H. Pearson; Jeffrey E. Kropf; Allison L. Choy; Ill Young Lee; Jeff W. Kampf
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4135 - 4148
• a: 11.1809 ± 0.0014 Å
• b: 8.245 ± 0.001 Å
• c: 12.1335 ± 0.0015 Å
• α: 90°
• β: 93.074 ± 0.002°
• γ: 90°
• Cell volume: 1116.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No