Information card for entry 4118701

Structure parameters

• Formula: C13 H20 O7
• Calculated formula: C13 H20 O7
• SMILES: O=C1O[C@@H](OC)[C@H]2[C@@H]1[C@H]([C@@H](O)[C@]2(O)C(=O)OC)C(C)C.O=C1O[C@H](OC)[C@@H]2[C@H]1[C@@H]([C@H](O)[C@@]2(O)C(=O)OC)C(C)C
• Title of publication: Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes
• Authors of publication: Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16054 - 16058
• a: 33.1098 ± 0.0013 Å
• b: 33.1098 ± 0.0013 Å
• c: 6.3799 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6057 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No