Information card for entry 1501799

Structure parameters

• Formula: C28 H38 O9
• Calculated formula: C28 H38 O9
• SMILES: O1C2=CC(=O)[C@](O)([C@H]3[C@]2(C[C@H]1C(O)(C)C)[C@@H]1C(=O)[C@](O)([C@H]3C2=C1OC([C@H](O)C2)(C)C)CC=C)CC=C.O
• Title of publication: Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.
• Authors of publication: Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 1268 - 1271
• a: 9.393 ± 0.001 Å
• b: 14.905 ± 0.001 Å
• c: 19.192 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2686.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No