Information card for entry 2004222

Structure parameters

• Chemical name: 1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole
• Formula: C24 H26 N2
• Calculated formula: C24 H26 N2
• SMILES: n1(c2c(c3c1C(CC3(C)C)(c1cn(c3c1cccc3)C)C)cccc2)C
• 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: 12.826 ± 0.0005 Å
• b: 16.9115 ± 0.0004 Å
• c: 9.0052 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1953.29 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.1383
• Weighted residual factors for significantly intense reflections: 0.1362
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No