Information card for entry 1555830

Structure parameters

• Common name: YS-69-53
• Formula: C18 H20 O7
• Calculated formula: C18 H20 O7
• SMILES: O(C)c1ccc(/C=C2\[C@H]([C@H](O)[C@@H]3OC(OC3)(C)C)C(=O)OC2=O)cc1
• Title of publication: Stereocontrolled Synthesis of (+)-Plagiogyrin A.
• Authors of publication: Shi, Yunlong; Pierce, Joshua G.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5308 - 5311
• a: 6.7535 ± 0.0002 Å
• b: 10.0644 ± 0.0002 Å
• c: 12.3488 ± 0.0003 Å
• α: 90°
• β: 91.205 ± 0.001°
• γ: 90°
• Cell volume: 839.16 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No