Information card for entry 2239815

Structure parameters

• Chemical name: (<i>E</i>)-3-(9-Hexyl-9<i>H</i>-carbazol-3-yl)acrylic acid
• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: c1cccc2c1c1c(ccc(c1)/C=C/C(=O)O)n2CCCCCC
• Title of publication: (<i>E</i>)-3-(9-Hexyl-9<i>H</i>-carbazol-3-yl)acrylic acid
• Authors of publication: Sun, Wan; Liu, Wen-Mo; Li, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o884
• a: 10.594 ± 0.005 Å
• b: 5.109 ± 0.002 Å
• c: 33.152 ± 0.015 Å
• α: 90°
• β: 94.922 ± 0.006°
• γ: 90°
• Cell volume: 1787.7 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes