Information card for entry 2215744

Structure parameters

• Chemical name: 1-[2-Hydroxy-4-(3-methylbut-2-enyloxy)phenyl]ethan-1-one
• Formula: C13 H16 O3
• Calculated formula: C13 H16 O3
• SMILES: O=C(C)c1ccc(OCC=C(C)C)cc1O
• Title of publication: 1-[2-Hydroxy-4-(3-methylbut-2-enyloxy)phenyl]ethan-1-one
• Authors of publication: Die Cheng; Mo Liu; Deng-Ke Liu; Ying Liu; Chang-Xiao Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4496 - o4496
• a: 9.7647 ± 0.0017 Å
• b: 11.347 ± 0.002 Å
• c: 11.553 ± 0.002 Å
• α: 87.357 ± 0.003°
• β: 86.416 ± 0.003°
• γ: 68.734 ± 0.003°
• Cell volume: 1190.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0815
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes