Information card for entry 1552946

Structure parameters

• Common name: compound 21
• Chemical name: compound 21
• Formula: C23 H31 N O7 Si
• Calculated formula: C23 H31 N O7 Si
• SMILES: [Si](O[C@@H]1OC2([C@H]3O[C@H]3C(=O)[C@H]3O[C@@H]23)C[C@@H]1NC(=O)OCc1ccccc1)(CC)(CC)CC
• Title of publication: Total synthesis of (−)-penicimutanin a and related congeners
• Authors of publication: Yu, Haiyong; Zong, Yan; Xu, Tao
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 656 - 660
• a: 10.936 ± 0.004 Å
• b: 9.071 ± 0.003 Å
• c: 12.562 ± 0.005 Å
• α: 90°
• β: 94.63 ± 0.005°
• γ: 90°
• Cell volume: 1242.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0598
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No