Information card for entry 2238990

Structure parameters

• Chemical name: (<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: COc1ccccc1C(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC
• Title of publication: (<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o190
• a: 15.9332 ± 0.0007 Å
• b: 7.8915 ± 0.0003 Å
• c: 30.4062 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3823.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes