Information card for entry 2000901

Structure parameters

• Formula: C10 H18 O2
• Calculated formula: C10 H18 O2
• SMILES: [C@H]1(CC=C([C@H](C1)O)C)C(C)(C)O.[C@@H]1(CC=C([C@@H](C1)O)C)C(C)(C)O
• Title of publication: Structures of sobrerol enantiomers and racemates. II. (±)-<i>trans</i>-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (racemic <i>trans</i>-sobrerol)
• Authors of publication: Giuseppetti, G.; Tadini, C.; Bettinetti, G. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 876 - 878
• a: 6.57 ± 0.002 Å
• b: 19.031 ± 0.004 Å
• c: 7.949 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 993.9 ± 0.4 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No