Information card for entry 7159857

Structure parameters

• Formula: C21.5 H33 O5.5
• Calculated formula: C21.5 H33 O5.5
• SMILES: O=C(C=C(C)C)[C@]1(O)[C@]2(O[C@H](O)C[C@H]2C)C(=O)[C@@H]2[C@@H](C)CC[C@H]2[C@@H]1C.O=C(C)C
• Title of publication: Unusual immunosuppressive pyridine-containing <i>bisnor</i>- (c₂₃), <i>tetranor</i>- (c₂₁) and <i>pentanor</i>- (c₂₀) sesterterpenoids from Tibetan <i>Leucosceptrum canum</i>.
• Authors of publication: Li, Man; Feng, Ling; Zhang, Han; Liu, Yan-Chun; Zhou, Ting-Ting; Zheng, Yu; Guo, Kai; Liu, Yan; Li, Sheng-Hong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 3019 - 3024
• a: 10.184 ± 0.0005 Å
• b: 14.8969 ± 0.0007 Å
• c: 14.107 ± 0.0007 Å
• α: 90°
• β: 108.171 ± 0.001°
• γ: 90°
• Cell volume: 2033.44 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No