Information card for entry 1556220

Structure parameters

• Formula: C32 H37 Br O5
• Calculated formula: C32 H37 Br O5
• SMILES: Brc1ccc(C(=O)O[C@@H]2C[C@]3(C=C(C(=O)C4=C3O[C@@]3(CC4)[C@@H]4C[C@@]4(CC3)C(C)C)CC=C)OC2(C)C)cc1
• Title of publication: Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.
• Authors of publication: Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4450 - 4453
• a: 6.161 ± 0.002 Å
• b: 19.878 ± 0.004 Å
• c: 23.992 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No