Information card for entry 2229755

Structure parameters

• Common name: (+)-rhododendrol
• Chemical name: (2<i>S</i>)-4-(4-hydroxyphenyl)butan-2-ol
• Formula: C10 H14 O2
• Calculated formula: C10 H14 O2
• SMILES: Oc1ccc(cc1)CC[C@@H](O)C
• Title of publication: Absolute configuration of (2<i>S</i>)-4-(4-hydroxyphenyl)butan-2-ol
• Authors of publication: Yousuf, S.; Musharraf, S. G.; Khan, I.; Samiullah; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o952
• a: 7.2342 ± 0.0002 Å
• b: 6.3815 ± 0.0002 Å
• c: 9.9419 ± 0.0004 Å
• α: 90°
• β: 92.216 ± 0.002°
• γ: 90°
• Cell volume: 458.63 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes