Information card for entry 2216800

Structure parameters

• Chemical name: 7-Chloro-3-ethyl-10-phenyl-2-tosylpyrrolo[3,4-b]quinoline
• Formula: C26 H27 Cl N2 O2 S
• Calculated formula: C26 H27 Cl N2 O2 S
• SMILES: Clc1cc2[C@@H]([C@H]3CN(S(=O)(=O)c4ccc(cc4)C)[C@H]([C@@H]3Nc2cc1)CC)c1ccccc1.Clc1cc2[C@H]([C@@H]3CN(S(=O)(=O)c4ccc(cc4)C)[C@@H]([C@H]3Nc2cc1)CC)c1ccccc1
• Title of publication: 7-Chloro-3-ethyl-10-phenyl-2-tosylpyrrolo[3,4-<i>b</i>]quinoline
• Authors of publication: D. Sudha; K. Chinnakali; M. Jayagobi; R. Raghunathan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4914 - o4915
• a: 9.5843 ± 0.0002 Å
• b: 13.2007 ± 0.0002 Å
• c: 20.3414 ± 0.0003 Å
• α: 90°
• β: 115.55 ± 0.001°
• γ: 90°
• Cell volume: 2321.91 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes