Information card for entry 2223874

Structure parameters

• Chemical name: (2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)phenylmethyl acetate
• Formula: C24 H21 N O4 S
• Calculated formula: C24 H21 N O4 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)C(c1ccccc1)OC(=O)C)C
• Title of publication: (2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)phenylmethyl acetate
• Authors of publication: Saravanan, B.; Dhayalan, V.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2906
• a: 14.3655 ± 0.0006 Å
• b: 8.3432 ± 0.0004 Å
• c: 18.6261 ± 0.0008 Å
• α: 90°
• β: 108.086 ± 0.002°
• γ: 90°
• Cell volume: 2122.12 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes