Information card for entry 1568540

Structure parameters

• Common name: ARW-II-297
• Chemical name: ARW-II-297
• Formula: C23 H30 O7 Si
• Calculated formula: C23 H30 O7 Si
• SMILES: [Si](O[C@@H]1CCC(C(=O)OC)(C(=O)OC)[C@H]2[C@]31c1c([C@@H](C3=O)C2)cc(OC)cc1)(C)(C)C.[Si](O[C@H]1CCC(C(=O)OC)(C(=O)OC)[C@@H]2[C@@]31c1c([C@H](C3=O)C2)cc(OC)cc1)(C)(C)C
• Title of publication: A convergent fragment coupling strategy to access quaternary stereogenic centers
• Authors of publication: Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.
• Journal of publication: Chemical Science
• Year of publication: 2023
• a: 18.2041 ± 0.0015 Å
• b: 12.7693 ± 0.0013 Å
• c: 19.5076 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4534.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No