Information card for entry 1516622

Structure parameters

• Formula: C30 H28 O13
• Calculated formula: C30 H28 O13
• SMILES: [C@@H]1([C@@H]([C@H]([C@H](CO1)OC(=O)C)OC(=O)C)O)Oc1c2c(cc(c(c2)OC)OC)c(c2c1COC2=O)c1cc2c(cc1)OCO2
• Title of publication: Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei.
• Authors of publication: Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 1494 - 1504
• a: 21.4292 ± 0.0006 Å
• b: 21.4292 ± 0.0006 Å
• c: 21.4162 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8517 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.2399 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No