Information card for entry 2221700

Structure parameters

• Chemical name: Ethyl (<i>Z</i>)-2-cyano-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-enoate
• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• SMILES: O=C(OCC)/C(=C/c1ccc2n(c3ccccc3c2c1)CC)C#N
• Title of publication: Ethyl (<i>Z</i>)-2-cyano-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-enoate
• Authors of publication: Asiri, Abdullah Mohamed; Akkurt, Mehmet; Khan, Salman A.; Khan, Islam Ullah; Arshad, Muhammad N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1169
• a: 10.803 ± 0.0007 Å
• b: 13.4443 ± 0.001 Å
• c: 11.616 ± 0.0007 Å
• α: 90°
• β: 93.387 ± 0.005°
• γ: 90°
• Cell volume: 1684.15 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.318
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes