Information card for entry 1559692

Structure parameters

• Formula: C58 H58 N4 O8
• Calculated formula: C58 H58 N4 O8
• SMILES: [C@H]1(O[C@H]([C@H]2[C@@H](O[C@H]([C@@H]12)CC(=O)CCc1ccc(O)cc1)c1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1)c1ccc(O)cc1.c1ccccn1.n1ccccc1.c1ccccn1.n1ccccc1
• Title of publication: Neuroprotective and Anti-inflammatory Ditetrahydrofuran-Containing Diarylheptanoids from <i>Tacca chantrieri</i>.
• Authors of publication: Yang, Yue; Gong, Qi; Wang, Wei; Mao, Ying-Le; Wang, Xiao-Rong; Yao, Sheng; Zhang, Hai-Yan; Tang, Chunping; Ye, Yang
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 31.36 ± 0.005 Å
• b: 5.4501 ± 0.0008 Å
• c: 14.626 ± 0.002 Å
• α: 90°
• β: 94.939 ± 0.009°
• γ: 90°
• Cell volume: 2490.5 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No