Information card for entry 1563815

Structure parameters

• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: c1(cc(c2c(O[C@@]34C(C2=O)=C(OC)CC[C@@H]3OC(OC4)(C)C)c1)O)CO
• Title of publication: Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine
• Authors of publication: Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 5.3394 ± 0.0001 Å
• b: 10.5708 ± 0.0002 Å
• c: 29.822 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1683.21 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0528
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No