Information card for entry 2231254

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Formylphenoxymethyl)-3-phenylprop-2-enenitrile
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: c1ccccc1/C=C(\C#N)COc1ccccc1C=O
• Title of publication: (<i>E</i>)-2-(2-Formylphenoxymethyl)-3-phenylprop-2-enenitrile
• Authors of publication: Swaminathan, K.; Sethusankar, K.; Murugan, G.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2000
• a: 8.0157 ± 0.0004 Å
• b: 9.2589 ± 0.0004 Å
• c: 10.2348 ± 0.0005 Å
• α: 68.283 ± 0.002°
• β: 73.432 ± 0.002°
• γ: 79.804 ± 0.002°
• Cell volume: 674.2 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes