Information card for entry 1556221

Structure parameters

• Formula: C32 H37 Br O5
• Calculated formula: C32 H37 Br O5
• SMILES: Brc1ccc(cc1)C(=O)O[C@@H]1C[C@@]2(OC1(C)C)C=C(CC=C)C(=O)C1=C2O[C@@]2(CC1)CC[C@]1(C[C@@H]21)C(C)C
• 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: 5.9898 ± 0.0008 Å
• b: 9.7098 ± 0.0013 Å
• c: 12.2465 ± 0.0018 Å
• α: 90.307 ± 0.012°
• β: 91.544 ± 0.012°
• γ: 99.152 ± 0.011°
• Cell volume: 702.9 ± 0.17 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No