Information card for entry 1543829

Structure parameters

• Formula: C26 H32 O5
• Calculated formula: C26 H32 O5
• SMILES: O1[C@H]2CC(=O)C([C@@H]3CC(=O)O[C@H]4[C@@H]([C@@]1(C1[C@@](C4)([C@@H](CC=1)c1cocc1)C)C)[C@@]23C)(C)C
• Title of publication: Ciliatonoids A and B, Two Limonoids from Toona ciliata.
• Authors of publication: Liu, Cui-Ping; Wang, Guo-Cai; Gan, Li-She; Xu, Cheng-Hui; Liu, Qun-Fang; Ding, Jian; Yue, Jian-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2894 - 2897
• a: 7.2748 ± 0.0002 Å
• b: 12.323 ± 0.0003 Å
• c: 13.1676 ± 0.0003 Å
• α: 114.212 ± 0.001°
• β: 90.277 ± 0.001°
• γ: 91.395 ± 0.001°
• Cell volume: 1076.14 ± 0.05 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No