Information card for entry 4035384

Structure parameters

• Formula: C31 H36 O6
• Calculated formula: C31 H36 O6
• SMILES: O1CC[C@@H]([C@H]2[C@H]([C@@H](c3cc(OC)c(OC)cc23)c2ccc(OC)cc2)CCO)[C@@H]1c1ccc(OC)cc1.O1CC[C@H]([C@@H]2[C@@H]([C@H](c3cc(OC)c(OC)cc23)c2ccc(OC)cc2)CCO)[C@H]1c1ccc(OC)cc1
• 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: 14.993 ± 0.0004 Å
• b: 10.3428 ± 0.0003 Å
• c: 17.6768 ± 0.0005 Å
• α: 90°
• β: 103.888 ± 0.007°
• γ: 90°
• Cell volume: 2661 ± 0.15 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No