Information card for entry 2224810

Structure parameters

• Chemical name: 1,8-Bis(tosyloxy)-9,10-anthraquinone
• Formula: C28 H20 O8 S2
• Calculated formula: C28 H20 O8 S2
• SMILES: c1(cccc2C(=O)c3cccc(c3C(=O)c12)OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: 1,8-Bis(tosyloxy)-9,10-anthraquinone
• Authors of publication: Niedziałkowski, Paweł; Trzybiński, Damian; Sikorski, Artur; Ossowski, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o33 - o34
• a: 8.263 ± 0.002 Å
• b: 27.473 ± 0.005 Å
• c: 11.162 ± 0.002 Å
• α: 90°
• β: 100.36 ± 0.03°
• γ: 90°
• Cell volume: 2492.6 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes