Information card for entry 2001102

Structure parameters

• Formula: C16 H18 O5
• Calculated formula: C16 H18 O5
• SMILES: O1C(O[C@H]2[C@@H]([C@H](C=C[C@@H]12)OC(=O)c1ccccc1)O)(C)C.O1C(O[C@@H]2[C@H]([C@@H](C=C[C@H]12)OC(=O)c1ccccc1)O)(C)C
• Title of publication: Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
• Authors of publication: Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 70 - 73
• a: 12.792 ± 0.001 Å
• b: 8.937 ± 0.001 Å
• c: 13.089 ± 0.001 Å
• α: 90°
• β: 91.37 ± 0.01°
• γ: 90°
• Cell volume: 1495.9 ± 0.2 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No