Information card for entry 2221110

Structure parameters

• Chemical name: 9-Butyl-9<i>H</i>-carbazole
• Formula: C16 H17 N
• Calculated formula: C16 H17 N
• SMILES: n1(CCCC)c2ccccc2c2ccccc12
• Title of publication: 9-Butyl-9<i>H</i>-carbazole
• Authors of publication: Chen, Lei; Cheng, Wei; Song, Guang-Liang; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o574
• a: 5.544 ± 0.001 Å
• b: 11.276 ± 0.002 Å
• c: 20.369 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes