Information card for entry 1503699

Structure parameters

• Formula: C26 H36 O9
• Calculated formula: C26 H36 O9
• SMILES: O1[C@H](OC(=O)C)[C@H]2C(=C)C[C@@H](O)[C@@H]3O[C@]3(CC[C@@H]2C(=C1)[C@@H](OC(=O)C)[C@@H](OC(=O)C)C=C(C)C)C
• Title of publication: Asterolaurins A-F, xenicane diterpenoids from the Taiwanese soft coral Asterospicularia laurae.
• Authors of publication: Lin, Yu-Chi; Abd El-Razek, Mohamed H; Hwang, Tsong-Long; Chiang, Michael Y.; Kuo, Yao-Haur; Dai, Chang-Feng; Shen, Ya-Ching
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1911 - 1916
• a: 11.856 ± 0.002 Å
• b: 13.164 ± 0.003 Å
• c: 17.373 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2711.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No