Information card for entry 1505818

Structure parameters

• Formula: C24 H32 N2 O7 S
• Calculated formula: C24 H29 N2 O7 S
• SMILES: S(=O)(=O)(N1CC=C2[C@]3(C1)[C@@H](N(CC3)C(=O)OC(C)(C)C)[C@@](O)([C@@H]2O)/C=C\CO)c1ccccc1.S(=O)(=O)(N1CC=C2[C@@]3(C1)[C@H](N(CC3)C(=O)OC(C)(C)C)[C@](O)([C@H]2O)/C=C\CO)c1ccccc1
• Title of publication: Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.
• Authors of publication: Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 27 - 30
• a: 26.507 ± 0.007 Å
• b: 18.459 ± 0.003 Å
• c: 12.035 ± 0.002 Å
• α: 90°
• β: 106.22 ± 0.02°
• γ: 90°
• Cell volume: 5654 ± 2 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.97
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No