Information card for entry 2201877

Structure parameters

• Chemical name: 8-Chloro-4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H- cyclopenta[c]quinoline
• Formula: C26 H21 Cl N2 O2 S
• Calculated formula: C26 H21 Cl N2 O2 S
• SMILES: Clc1ccc2N[C@H]([C@@H]3[C@H](c2c1)C=CC3)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1.Clc1ccc2N[C@@H]([C@H]3[C@@H](c2c1)C=CC3)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
• Title of publication: 8-Chloro-4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3<i>H</i>-cyclopenta[<i>c</i>]quinoline
• Authors of publication: R. Sankaranarayanan; M. Yogavel; D. Velmurugan; K. Sekar; G. Babu; P. T. Perumal; S. Shanmuga Sundara Raj; H.-K. Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o49 - o51
• a: 15.0064 ± 0.0002 Å
• b: 9.4052 ± 0.0002 Å
• c: 15.7077 ± 0.0002 Å
• α: 90°
• β: 91.093 ± 0.001°
• γ: 90°
• Cell volume: 2216.55 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No