Information card for entry 4034319

Structure parameters

• Formula: C36 H58 N2 O6 Si2
• Calculated formula: C36 H58 N2 O6 Si2
• SMILES: [Si](O[C@H]1C=C2[C@H](N3C(=O)[C@@H]4N(C(=O)[C@H]3C2)[C@H]2C(=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3O[C@H]23)C4)[C@H]2O[C@@H]12)(C(C)C)(C(C)C)C(C)C
• Title of publication: Toward the Total Synthesis of Scabrosins: Synthesis of a Desulfur-scabrosin Skeleton and Its Stereoisomers.
• Authors of publication: Liu, Yuyin; Wang, Zhi-Peng; Banne, Sreenivas; Guo, Jian; He, Yun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5838 - 5845
• a: 13.2188 ± 0.0004 Å
• b: 8.8154 ± 0.0003 Å
• c: 16.5835 ± 0.0006 Å
• α: 90°
• β: 106.553 ± 0.004°
• γ: 90°
• Cell volume: 1852.37 ± 0.11 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No