Information card for entry 1505819

Structure parameters

• Formula: C25 H32 N2 O7 S
• Calculated formula: C25 H32 N2 O7 S
• SMILES: S(=O)(=O)(N1CC[C@H]2[C@@]3(C1)[C@H](N(CC3)C(=O)OC(C)(C)C)[C@]1(OC(=O)CC1)C(=O)C2)c1ccccc1.S(=O)(=O)(N1CC[C@@H]2[C@]3(C1)[C@@H](N(CC3)C(=O)OC(C)(C)C)[C@@]1(OC(=O)CC1)C(=O)C2)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: 11.972 ± 0.002 Å
• b: 12.187 ± 0.003 Å
• c: 17.556 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2561.5 ± 0.9 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No