Information card for entry 2208121

Structure parameters

• Chemical name: Ethyl (E)-2-benzoyl-3-phenylpropenoate
• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: O=C(/C(=C\c1ccccc1)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl (<i>E</i>)-2-benzoyl-3-phenylpropenoate
• Authors of publication: Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o708 - o710
• a: 10.8099 ± 0.0008 Å
• b: 7.2746 ± 0.0005 Å
• c: 18.5285 ± 0.0013 Å
• α: 90°
• β: 94.326 ± 0.001°
• γ: 90°
• Cell volume: 1452.89 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes