Information card for entry 2234559

Structure parameters

• Common name: 1,4-Bis(tosyloxy)anthraquinone
• Chemical name: 9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)
• Formula: C28 H20 O8 S2
• Calculated formula: C28 H20 O8 S2
• SMILES: c1(ccc(c2c1C(=O)c1c(cccc1)C2=O)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: 9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)
• Authors of publication: Teerawatananond, Thapong; Kerdsamut, Chiaranan; Kokpol, Sirirat; Muangsin, Nongnuj
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1423 - o1424
• a: 9.6796 ± 0.0002 Å
• b: 10.9426 ± 0.0003 Å
• c: 13.1833 ± 0.0004 Å
• α: 111.122 ± 0.001°
• β: 90.961 ± 0.001°
• γ: 107.19 ± 0.001°
• Cell volume: 1232.41 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 101.325 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes