Information card for entry 7150529

Structure parameters

• Formula: C20 H27 N O6 S
• Calculated formula: C20 H27 N O6 S
• SMILES: S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.O1[NH2+][C@H]2[C@@H](C1)COc1ccccc21
• Title of publication: Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis
• Authors of publication: Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 747 - 760
• a: 6.5353 ± 0.0001 Å
• b: 9.8759 ± 0.0001 Å
• c: 30.2519 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.52 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No