Information card for entry 2239462

Structure parameters

• Chemical name: <i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline
• Formula: C21 H20 N2 O2 S
• Calculated formula: C21 H20 N2 O2 S
• SMILES: CS(=O)(=O)c1ccc(cc1)NCCn1c2ccccc2c2c1cccc2
• Title of publication: <i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline
• Authors of publication: Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o332
• a: 15.061 ± 0.003 Å
• b: 21.992 ± 0.004 Å
• c: 5.437 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes