Information card for entry 2214644

Structure parameters

• Chemical name: 2-(4-Methoxybenzyl)-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indole
• Formula: C25 H24 N2 O2 S
• Calculated formula: C25 H24 N2 O2 S
• SMILES: S(=O)(=O)(n1c2c(c3CN(Cc13)Cc1ccc(cc1)CC)cccc2)c1ccccc1
• Title of publication: 2-(4-Methoxybenzyl)-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-<i>b</i>]indole
• Authors of publication: Kishbaugh, Tara L. S.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3411 - o3411
• a: 11.929 ± 0.007 Å
• b: 9.397 ± 0.007 Å
• c: 19.198 ± 0.004 Å
• α: 90°
• β: 106.47 ± 0.03°
• γ: 90°
• Cell volume: 2064 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.2503
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes