Information card for entry 1542577

Structure parameters

• Formula: C14 H16 O4
• Calculated formula: C14 H16 O4
• SMILES: O=C1O[C@H]2C[C@]3(O[C@]2(C1)CC1=C(C(=O)C[C@@H]31)C)C
• Title of publication: Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.
• Authors of publication: Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1219 - 1221
• a: 5.5435 ± 0.0006 Å
• b: 7.7426 ± 0.0009 Å
• c: 27.879 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1196.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No