Information card for entry 4112804

Structure parameters

• Formula: C12 H20 O6
• Calculated formula: C12 H20 O6
• SMILES: O1[C@H]2[C@@H](OC1(C)C)[C@H]1OC(O[C@@H]1[C@@H](O)[C@@H]2O)(C)C.O1[C@@H]2[C@H](OC1(C)C)[C@@H]1OC(O[C@H]1[C@H](O)[C@H]2O)(C)C
• Title of publication: Topochemical Transketalization Reaction Driven by Hydrogen Bonding
• Authors of publication: Kana M. Sureshan; Tomohiro Murakami; Tomomi Miyasou; Yutaka Watanabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9174 - 9175
• a: 10.557 ± 0.002 Å
• b: 13.439 ± 0.002 Å
• c: 9.79 ± 0.001 Å
• α: 98.883 ± 0.01°
• β: 100.65 ± 0.01°
• γ: 99.14 ± 0.01°
• Cell volume: 1323.3 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.627
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No