Information card for entry 2205579

Structure parameters

• Chemical name: (E)-3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• SMILES: c1ccc2c(c1)n(CC)c1c2cc(cc1)/C=C/C(=O)c1ccccc1O
• Title of publication: (<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Cao, Du-Xia; Li, Guo-Zhong; Xue, Gang; Yu, Wen-Tao; Liu, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o977 - o979
• a: 8.9637 ± 0.0009 Å
• b: 24.689 ± 0.003 Å
• c: 9.099 ± 0.0009 Å
• α: 90°
• β: 117.788 ± 0.006°
• γ: 90°
• Cell volume: 1781.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1091
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes