Information card for entry 7153881

Structure parameters

• Formula: C16 H25 N O5
• Calculated formula: C16 H25 N O5
• SMILES: N1([C@H](COC1=O)C(C)C)C(=O)[C@@]1(OO[C@](C1)(C=C)CC)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: 5.4633 ± 0.0008 Å
• b: 11.8774 ± 0.0017 Å
• c: 12.69 ± 0.0018 Å
• α: 90°
• β: 93.632 ± 0.002°
• γ: 90°
• Cell volume: 821.8 ± 0.2 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: 0.0251
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No