Information card for entry 2000376

Structure parameters

• Formula: C33 H43 N O6 S
• Calculated formula: C33 H43 N O6 S
• SMILES: O=C([C@@H]1[C@@H](C)O[C@H]([C@@H](C1=O)C)C)O[C@@H]1[C@@H]([C@@H]2C([C@@]1(C)CC2)(C)C)N(S(=O)(=O)c1ccccc1)c1cc(C)cc(c1)C
• Title of publication: A substrate for the asymmetric Nazarov cyclization
• Authors of publication: Andrews, J. F. P.; Regan, A. C.; Wallis, J. D.; Povey, D. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2196 - 2199
• a: 11.945 ± 0.002 Å
• b: 22.24 ± 0.006 Å
• c: 24.407 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6484 ± 2 ų
• 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
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No