Information card for entry 2019959

Structure parameters

• Chemical name: 2-[2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]benzo[<i>de</i>]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate
• Formula: C30 H25 Cl N2 O5 S
• Calculated formula: C30 H25 Cl N2 O5 S
• Title of publication: Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate
• Authors of publication: Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o129
• a: 7.9925 ± 0.0003 Å
• b: 12.1761 ± 0.0005 Å
• c: 14.2313 ± 0.0006 Å
• α: 93.549 ± 0.002°
• β: 95.52 ± 0.002°
• γ: 101.602 ± 0.002°
• Cell volume: 1345.67 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes