Information card for entry 2220332

Structure parameters

• Chemical name: 9-(2-Thienyl)-9<i>H</i>-carbazole
• Formula: C16 H11 N S
• Calculated formula: C16 H11 N S
• SMILES: c12ccccc1c1ccccc1n2c1cccs1
• Title of publication: 9-(2-Thienyl)-9<i>H</i>-carbazole
• Authors of publication: Jiang, Xu-Liang; Li, Feng-Rong; Zheng, Ren-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2461
• a: 14.412 ± 0.003 Å
• b: 9.5831 ± 0.0019 Å
• c: 18.671 ± 0.004 Å
• α: 90°
• β: 100.64 ± 0.03°
• γ: 90°
• Cell volume: 2534.3 ± 0.9 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: 0.0562
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes