Information card for entry 4035381

Structure parameters

• Formula: C26 H23 N O3 S
• Calculated formula: C26 H23 N O3 S
• SMILES: S(=O)(=O)(n1c2[C@@H]([C@H]3CCO[C@H]3c2c2c1cccc2)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(n1c2[C@H]([C@@H]3CCO[C@@H]3c2c2c1cccc2)c1ccccc1)c1ccc(cc1)C
• Title of publication: Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.
• Authors of publication: Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9103 - 9118
• a: 13.9979 ± 0.0003 Å
• b: 10.37944 ± 0.00019 Å
• c: 14.6537 ± 0.0003 Å
• α: 90°
• β: 94.048 ± 0.007°
• γ: 90°
• Cell volume: 2123.73 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No