Information card for entry 2214448

Structure parameters

• Chemical name: 4-(1-Phenylethyl)benzene-1,3-diol
• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: c1(cc(ccc1C(C)c1ccccc1)O)O
• Title of publication: 4-(1-Phenylethyl)benzene-1,3-diol
• Authors of publication: Zhi-Yun Du; Xue-Tao Xu; Kun Zhang; Bao-Hua Huang; Yan-Xiong Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3217 - o3217
• a: 13.131 ± 0.004 Å
• b: 5.7841 ± 0.0015 Å
• c: 30.046 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes