Information card for entry 4032396

Structure parameters

• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: O1[C@H](C[C@H]([C@@H](C1)CO)c1cc(OC)c(OC)cc1OC)c1occc1.O1[C@@H](C[C@@H]([C@H](C1)CO)c1cc(OC)c(OC)cc1OC)c1occc1
• Title of publication: Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.
• Authors of publication: Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3441 - 3455
• a: 17.481 ± 0.006 Å
• b: 7.27 ± 0.002 Å
• c: 14.959 ± 0.004 Å
• α: 90°
• β: 114.17 ± 0.005°
• γ: 90°
• Cell volume: 1734.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No