Information card for entry 2010408

Structure parameters

• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: COc1ccccc1/C=C/C(=O)c1ccccc1O
• Title of publication: 2'-Hydroxy-2-methoxychalcone
• Authors of publication: Wallet, J-C.; Molins, E.; Miravitlles, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 123 - 125
• a: 3.992 ± 0.001 Å
• b: 24.356 ± 0.002 Å
• c: 13.071 ± 0.001 Å
• α: 90°
• β: 90.55 ± 0.01°
• γ: 90°
• Cell volume: 1270.8 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No