Information card for entry 2215566

Structure parameters

• Chemical name: 2-(4-Methoxybenzyl)-3-methyl-1-phenylsulfonyl-1H-indole
• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)C)Cc1ccc(OC)cc1)c1ccccc1
• Title of publication: 2-(4-Methoxybenzyl)-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: M. Balasubramanian; Pon. Sathya Moorthy; V. Dhayalan; A. K. Mohanakrishnan; M. N. Ponnuswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4134 - o4134
• a: 8.2518 ± 0.0003 Å
• b: 10.0817 ± 0.0004 Å
• c: 12.8169 ± 0.0005 Å
• α: 97.244 ± 0.002°
• β: 97.876 ± 0.002°
• γ: 105.709 ± 0.002°
• Cell volume: 1001.76 ± 0.07 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: 0.0549
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes