Information card for entry 7152061

Structure parameters

• Formula: C31 H50 O4
• Calculated formula: C31 H50 O4
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC=C1[C@@H]2CC[C@@]2([C@@]1(CC[C@H]2[C@@H](C)[C@@H]1O[C@H]1[C@H](O)C(OC)(C)C)C)C)C
• Title of publication: Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.
• Authors of publication: Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 7685 - 7696
• a: 10.208 ± 0.0008 Å
• b: 15.3825 ± 0.0012 Å
• c: 17.7371 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2785.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0679
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No