Information card for entry 2211777

Structure parameters

• Chemical name: 2-Aminoquinolin-8-yl 2,4,6-triisopropylbenzenesulfonate
• Formula: C24 H30 N2 O3 S
• Calculated formula: C24 H30 N2 O3 S
• SMILES: S(=O)(=O)(Oc1cccc2ccc(nc12)N)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: 2-Aminoquinolin-8-yl 2,4,6-triisopropylbenzenesulfonate
• Authors of publication: Silva, Luiz Everson da; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o409 - o411
• a: 40.435 ± 0.003 Å
• b: 7.0362 ± 0.0004 Å
• c: 17.212 ± 0.002 Å
• α: 90°
• β: 101.754 ± 0.009°
• γ: 90°
• Cell volume: 4794.3 ± 0.7 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes