Information card for entry 2000820

Structure parameters

• Formula: C20 H22 O3
• Calculated formula: C20 H22 O3
• SMILES: [C@@]12(OC([C@](OC1(C)C)(O2)c1ccccc1)(C)C)c1ccccc1.[C@]12(OC([C@@](OC1(C)C)(O2)c1ccccc1)(C)C)c1ccccc1
• Title of publication: Structure of the crystalline dimer of α-hydroxyisobutyrophenone: (<i>R</i>,<i>S</i>)-3,3,6,6-tetramethyl-1,4-diphenyl-2,5,7-trioxabicyclo[2.2.1]heptane
• Authors of publication: Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Tunnell, J. L.; Ferrara, J. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1033 - 1036
• a: 16.58 ± 0.03 Å
• b: 8.34 ± 0.01 Å
• c: 24.35 ± 0.03 Å
• α: 90°
• β: 91.2 ± 0.2°
• γ: 90°
• Cell volume: 3366 ± 8 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No