Information card for entry 4130357

Structure parameters

• Formula: C11 H18 O7
• Calculated formula: C11 H18 O7
• SMILES: OC(=O)[C@@H](O)[C@@H]1O[C@@H](CC1)[C@@](O)(C)C(=O)OCC.OC(=O)[C@H](O)[C@H]1O[C@H](CC1)[C@](O)(C)C(=O)OCC
• Title of publication: Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins.
• Authors of publication: Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6372 - 6375
• a: 12.0771 ± 0.0004 Å
• b: 10.1622 ± 0.0004 Å
• c: 11.7693 ± 0.0004 Å
• α: 90°
• β: 117.15 ± 0.0012°
• γ: 90°
• Cell volume: 1285.29 ± 0.08 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: 0.0374
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No