Information card for entry 7153879

Structure parameters

• Formula: C16 H25 N O3
• Calculated formula: C16 H25 N O3
• SMILES: N1([C@H](COC1=O)C(C)C)C(=O)[C@]1([C@](C1)(CC)C=C)CC
• Title of publication: Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.
• Authors of publication: Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 3686 - 3700
• a: 7.2984 ± 0.0019 Å
• b: 10.981 ± 0.003 Å
• c: 10.041 ± 0.003 Å
• α: 90°
• β: 90.375 ± 0.004°
• γ: 90°
• Cell volume: 804.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No