Information card for entry 1529874

Structure parameters

• Common name: Icacina9
• Formula: C20 H18 O7
• Calculated formula: C20 H18 O7
• SMILES: C1[C@@]2(C(=O)OC[C@]31[C@@H]1[C@@]2(C)C(=O)O[C@@H]1Cc1c3cc(c2c1occ2)OC)O
• 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: 5.968 ± 0.0009 Å
• b: 10.51 ± 0.001 Å
• c: 25.663 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.7 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.72925 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No