Information card for entry 2226733

Structure parameters

• Chemical name: 11-Butyl-3-methoxy-11<i>H</i>-benzo[<i>a</i>]carbazole
• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• SMILES: O(c1ccc2c(ccc3c4ccccc4n(c23)CCCC)c1)C
• Title of publication: 11-Butyl-3-methoxy-11<i>H</i>-benzo[<i>a</i>]carbazole
• Authors of publication: Ergün, Yavuz; Gündoğdu, Cevher; Tercan, Barış; Ermiş, Emel; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1634 - o1635
• a: 10.7263 ± 0.0006 Å
• b: 5.5562 ± 0.0003 Å
• c: 13.8967 ± 0.0007 Å
• α: 90°
• β: 97.841 ± 0.002°
• γ: 90°
• Cell volume: 820.46 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes