Information card for entry 7225903

Structure parameters

• Formula: C25 H26 N2 O4 S
• Calculated formula: C25 H26 N2 O4 S
• SMILES: S1(=O)(=O)N(c2c([C@@H]3N4[C@H]([C@H]([C@H]13)c1ccccc1)CCC4)c(=O)oc1c2cccc1)CCC
• Title of publication: Diastereolective synthesis of novel tetra-and pentacyclic annulated coumarino-δ-sultam pyrrolidine, pyrrolizidine, pyrrolothiazole and isoxazolidine derivatives via intramolecular 1,3-dipolar cycloadditions
• Authors of publication: Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.79 ± 0.002 Å
• b: 15.553 ± 0.002 Å
• c: 16.313 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No