Information card for entry 2236908

Structure parameters

• Chemical name: 9-(5-Bromo-1<i>H</i>-indol-3-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate
• Formula: C23 H25 Br N2 O3 S
• Calculated formula: C23 H25 Br N2 O3 S
• Title of publication: 9-(5-Bromo-1<i>H</i>-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate
• Authors of publication: El-Khouly, Ahmed; Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; Şafak, Cihat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3337
• a: 9.1544 ± 0.0004 Å
• b: 18.9619 ± 0.0008 Å
• c: 12.979 ± 0.0005 Å
• α: 90°
• β: 105.623 ± 0.004°
• γ: 90°
• Cell volume: 2169.72 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.054
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes