Information card for entry 4131752

Structure parameters

• Formula: C16 H22 O9
• Calculated formula: C16 H22 O9
• SMILES: O1C([C@H](C[C@H](OC(=O)C)C(=O)C)[C@@]2(O)C(=O)O[C@H]3[C@@]12OC[C@@H]3O)(C)C
• Title of publication: Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D.
• Authors of publication: Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 7
• Pages of publication: 2485 - 2492
• a: 9.9474 ± 0.0002 Å
• b: 10.9082 ± 0.0002 Å
• c: 15.4415 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1675.53 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No