Information card for entry 1529875

Structure parameters

• Common name: Icacinlactone
• Formula: C20 H20 O7
• Calculated formula: C20 H20 O7
• SMILES: C1[C@H](O)[C@@]2(O)[C@@]3(C)[C@@H]4[C@H](OC3=O)Cc3c([C@@]14CO2)cc(c1c3occ1)OC
• Title of publication: Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.
• Authors of publication: Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3834 - 3837
• a: 6.8018 ± 0.0003 Å
• b: 20.5957 ± 0.0009 Å
• c: 12.4023 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.41 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No