Information card for entry 2226805

Structure parameters

• Common name: 1-(6-acetyl-9-octyl-9<i>H</i>-carbazol-3-yl)ethan-1-one
• Chemical name: 1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone
• Formula: C24 H29 N O2
• Calculated formula: C24 H29 N O2
• SMILES: n1(CCCCCCCC)c2c(cc(cc2)C(=O)C)c2c1ccc(c2)C(=O)C
• Title of publication: 1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone
• Authors of publication: Saeed, Aamer; Kazmi, Madiha; Ameen Samra, Shahid; Irfan, Madiha; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2118
• a: 18.746 ± 0.002 Å
• b: 10.3842 ± 0.0018 Å
• c: 20.994 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4086.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes