Information card for entry 2225881

Structure parameters

• Chemical name: 3-(1-Hydroxy-2-phenylprop-2-en-1-yl)phenol
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: Oc1cccc(c1)C(C(=C)c1ccccc1)O
• Title of publication: 3-(1-Hydroxy-2-phenylprop-2-en-1-yl)phenol
• Authors of publication: Caracelli, Ignez; Zukerman-Schpector, Julio; Singh, Fateh V.; Stefani, Hélio A.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1033
• a: 9.1301 ± 0.0002 Å
• b: 10.2026 ± 0.0002 Å
• c: 24.8379 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313.67 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes