Information card for entry 4035594

Structure parameters

• Common name: 2',4'-dihydroxy-3',5'-dimethyl-6'-methoxychalcone
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: O(c1c(c(O)c(c(O)c1C(=O)/C=C/c1ccccc1)C)C)C
• Title of publication: Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.
• Authors of publication: Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 15
• Pages of publication: 8522 - 8532
• a: 10.9193 ± 0.0003 Å
• b: 24.6258 ± 0.0006 Å
• c: 11.4467 ± 0.0003 Å
• α: 90°
• β: 99.262 ± 0.002°
• γ: 90°
• Cell volume: 3037.85 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No