Information card for entry 7157781

Structure parameters

• Chemical name: Trieffnol C
• Formula: C26 H28 O8
• Calculated formula: C26 H28 O8
• SMILES: O.O(c1cc(O)c(c2oc(c(c12)c1c(O)c(c(O)cc1OC)CC)c1ccc(O)cc1)CC)C
• Title of publication: Structural elucidation, total synthesis, and cytotoxic activity of effphenol A
• Authors of publication: Liu, Hongxin; Chen, Shanchong; Zhang, Xiao; Dong, Chunmao; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 9035 - 9038
• a: 8.3229 ± 0.0002 Å
• b: 10.5201 ± 0.0002 Å
• c: 13.8336 ± 0.0003 Å
• α: 88.816 ± 0.002°
• β: 73.989 ± 0.002°
• γ: 76.976 ± 0.002°
• Cell volume: 1133.19 ± 0.05 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No