Information card for entry 2204599

Structure parameters

• Chemical name: 2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione
• Formula: C24 H30 O8
• Calculated formula: C24 H30 O8
• SMILES: COc1cc(cc(c1OC)OC)C(=O)[C@H]([C@@H](C(=O)c1cc(OC)c(c(c1)OC)OC)C)C.COc1cc(cc(c1OC)OC)C(=O)[C@@H]([C@H](C(=O)c1cc(OC)c(c(c1)OC)OC)C)C
• Title of publication: (2<i>RS</i>,3<i>RS</i>)-2,3-Dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione
• Authors of publication: Hu, Qingping; Ma, Mingliang; Shi, Jixian; Li, Yan; Zhou, Hongyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2101 - o2102
• a: 12.785 ± 0.004 Å
• b: 14.47 ± 0.005 Å
• c: 12.488 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes