Information card for entry 2233271

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]- 1<i>H</i>-indol-3-yl}prop-2-en-1-one
• Formula: C30 H22 N2 O7 S2
• Calculated formula: C30 H22 N2 O7 S2
• SMILES: c12ccccc1c(c(CS(=O)(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1)C(=O)/C=C/c1c(cccc1)N(=O)=O
• Title of publication: (<i>E</i>)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]-1<i>H</i>-indol-3-yl}prop-2-en-1-one
• Authors of publication: Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o9
• a: 7.9905 ± 0.0002 Å
• b: 22.2076 ± 0.0006 Å
• c: 15.7378 ± 0.0004 Å
• α: 90°
• β: 102.913 ± 0.002°
• γ: 90°
• Cell volume: 2722.04 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes