Information card for entry 4130356

Structure parameters

• Formula: C20 H20 O7
• Calculated formula: C20 H20 O7
• SMILES: O1[C@@H](CC[C@@H]1[C@H](O)C(=O)Oc1ccccc1)[C@@H](O)C(=O)Oc1ccccc1
• 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: 8.1289 ± 0.0011 Å
• b: 24.59 ± 0.004 Å
• c: 8.7228 ± 0.0012 Å
• α: 90°
• β: 99.753 ± 0.006°
• γ: 90°
• Cell volume: 1718.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0363
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No