Information card for entry 2221297

Structure parameters

• Chemical name: 3-(4-Methoxybenzyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: COc1ccc(cc1)Cc1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1
• Title of publication: 3-(4-Methoxybenzyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: Kavitha, T.; Thenmozhi, M.; Dhayalan, V.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o847
• a: 11.4366 ± 0.0004 Å
• b: 13.6021 ± 0.0005 Å
• c: 14.0001 ± 0.0005 Å
• α: 74.154 ± 0.001°
• β: 67.773 ± 0.002°
• γ: 88.848 ± 0.002°
• Cell volume: 1930.96 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes