Information card for entry 2200932

Structure parameters

• Chemical name: 1,2-Bis(1'-Phenylsulfonyl-3-phenylthioindole-2-yl)ethane
• Formula: C42 H32 N2 O4 S4
• Calculated formula: C42 H32 N2 O4 S4
• SMILES: O=S(=O)(n1c(CCc2c(Sc3ccccc3)c3c(n2S(=O)(=O)c2ccccc2)cccc3)c(c2c1cccc2)Sc1ccccc1)c1ccccc1
• Title of publication: 1,2-Bis(1-phenylsulfonyl-3-phenylthioindol-2-yl)ethane
• Authors of publication: Sethu Sankar, K.; Suresh Babu, N.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, H.-K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o134 - o136
• a: 12.5439 ± 0.0004 Å
• b: 8.3686 ± 0.0002 Å
• c: 18.9898 ± 0.0006 Å
• α: 90°
• β: 106.881 ± 0.001°
• γ: 90°
• Cell volume: 1907.55 ± 0.1 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: 0.1455
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes