Information card for entry 2212702

Structure parameters

• Chemical name: Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl) sulfone
• Formula: C26 H14 N4 O6 S
• Calculated formula: C26 H14 N4 O6 S
• SMILES: O=C1c2cc(ccc2C(=O)N1c1cccnc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccnc1
• Title of publication: Bis(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-5-yl) sulfone
• Authors of publication: Yan, Biao; Lü, Xing-Qiang; Ma, Hai-Xia; Song, Ji-Rong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1367 - o1368
• a: 8.174 ± 0.0008 Å
• b: 9.8743 ± 0.0008 Å
• c: 28.662 ± 0.003 Å
• α: 90°
• β: 97.977 ± 0.002°
• γ: 90°
• Cell volume: 2291 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes