Information card for entry 2004223

Structure parameters

• Chemical name: 1,1,3-trimethyl-4-benzenesulfonyl-3-(1-benzenesulfonyl-1H-indole-3-yl)- 2,2,3,4-tetrahydro-cyclopenta[b]indole
• Formula: C34 H30 N2 O4 S2
• Calculated formula: C34 H30 N2 O4 S2
• SMILES: S(=O)(=O)(n1c2c(c3c1C(CC3(C)C)(c1cn(S(=O)(=O)c3ccccc3)c3c1cccc3)C)cccc2)c1ccccc1
• Title of publication: Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole
• Authors of publication: Schollmeyer, D.; Fischer, G.; Pindur, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2572 - 2575
• a: 12.34 ± 0.001 Å
• b: 13.766 ± 0.002 Å
• c: 17.1648 ± 0.0009 Å
• α: 90°
• β: 92.258 ± 0.009°
• γ: 90°
• Cell volume: 2913.6 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1446
• Weighted residual factors for significantly intense reflections: 0.1151
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No