Information card for entry 2201071

Structure parameters

• Chemical name: (E)-1-(4-carboxyphenylmethylene)-2-tetralone
• Formula: C18 H14 O3
• Calculated formula: C18 H14 O3
• SMILES: O=C1C(=C/c2ccc(cc2)C(=O)O)/c2ccccc2CC1
• Title of publication: (<i>E</i>)-1-(4-Carboxyphenylmethylene)-2-tetralone
• Authors of publication: Oloo, Eliud O.; Quail, J. Wilson; Padmanilayam, Maniyan P.; Dimmock, Jonathan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o687 - o688
• a: 6.435 ± 0.002 Å
• b: 14.604 ± 0.006 Å
• c: 16.388 ± 0.006 Å
• α: 90°
• β: 118.641 ± 0.007°
• γ: 90°
• Cell volume: 1351.6 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes