Information card for entry 1555831

Structure parameters

• Common name: YS-88-24
• Formula: C18 H20 O7
• Calculated formula: C18 H20 O7
• SMILES: O=C1O[C@@H]([C@@H](C\1=C/c1ccc(OC)cc1)C(=O)O)[C@@H]1OC(OC1)(C)C.O=C1O[C@H]([C@H](C\1=C/c1ccc(OC)cc1)C(=O)O)[C@H]1OC(OC1)(C)C
• 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: 8.8256 ± 0.0003 Å
• b: 9.3741 ± 0.0004 Å
• c: 10.7509 ± 0.0004 Å
• α: 69.044 ± 0.002°
• β: 81.513 ± 0.002°
• γ: 81.953 ± 0.002°
• Cell volume: 817.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No