Information card for entry 2220740

Structure parameters

• Chemical name: 6-[3-(2,4-Dimethylanilino)-2-hydroxypropoxy]-1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione
• Formula: C26 H25 N O6
• Calculated formula: C26 H25 N O6
• SMILES: Cc1cc(c2c(c1)C(=O)c1c(C2=O)c(cc(c1)OCC(CNc1ccc(C)cc1C)O)O)O
• Title of publication: 6-[3-(2,4-Dimethylanilino)-2-hydroxypropoxy]-1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione
• Authors of publication: Wang, Xing-Po; Xu, Wenfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o367
• a: 5.0668 ± 0.0003 Å
• b: 29.7496 ± 0.0017 Å
• c: 14.2201 ± 0.0008 Å
• α: 90°
• β: 90.53 ± 0.004°
• γ: 90°
• Cell volume: 2143.4 ± 0.2 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: 0.1958
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes