Information card for entry 4028350

Structure parameters

• Formula: C15 H18 O6
• Calculated formula: C15 H18 O6
• SMILES: O1C(=O)c2c(O)c(O)c(OC)cc2[C@H]2O[C@H](C[C@@H]12)CCC
• Title of publication: Asymmetric Total Synthesis of Fusarentin 6-Methyl Ether and Its Biomimetic Transformation into Fusarentin 6,7-Dimethyl Ether, 7-O-Demethylmonocerin, and (+)-Monocerin
• Authors of publication: Bowen Fang; Xingang Xie; Changgui Zhao; Peng Jing; Huilin Li; Zhengshen Wang; Jixiang Gu; Xuegong She
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6338 - 6343
• a: 7.7724 ± 0.0013 Å
• b: 7.417 ± 0.0006 Å
• c: 12.6426 ± 0.0013 Å
• α: 90°
• β: 104.774 ± 0.014°
• γ: 90°
• Cell volume: 704.72 ± 0.16 ų
• Cell temperature: 297.1 ± 0.1 K
• Ambient diffraction temperature: 297.1 ± 0.1 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: 0.0689
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No