Information card for entry 1543481

Structure parameters

• Chemical name: 4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol
• Formula: C11 H14 O3
• Calculated formula: C11 H14 O3
• SMILES: Oc1ccc(C/C=C/CO)cc1OC
• Title of publication: 4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol
• Authors of publication: Knight, Kyle S.; Orick, Michael C.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160936
• a: 5.7659 ± 0.0011 Å
• b: 8.5396 ± 0.0017 Å
• c: 10.804 ± 0.002 Å
• α: 81.579 ± 0.006°
• β: 88.02 ± 0.006°
• γ: 71.167 ± 0.006°
• Cell volume: 498.02 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes