Information card for entry 2000485

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: CCC(=O)c1c(C)ccc(c1O)C(C)(C)C
• Title of publication: Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone
• Authors of publication: Bois, C.; Martin, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2060 - 2061
• a: 16.2 ± 0.002 Å
• b: 7.182 ± 0.002 Å
• c: 13.758 ± 0.002 Å
• α: 90°
• β: 126.99 ± 0.01°
• γ: 90°
• Cell volume: 1278.6 ± 0.5 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No