Information card for entry 1504735

Structure parameters

• Common name: HUI2244
• Formula: C24 H44 Br N O4 Si2
• Calculated formula: C24 H44 Br N O4 Si2
• SMILES: C([C@@H](C(=O)O)[C@](C)(C(=C\[Si](C)(C)C(C)(C)C)\Br)C[C@@H](C#N)[Si](C)(C)C(C)(C)C)C(=O)OC.C([C@H](C(=O)O)[C@@](C)(C(=C\[Si](C)(C)C(C)(C)C)\Br)C[C@H](C#N)[Si](C)(C)C(C)(C)C)C(=O)OC
• Title of publication: Toward the synthesis of cobyric acid. Enantioselective syntheses of completely differentiated ring D synthons.
• Authors of publication: Wang, Hui; Tassa, Carlos; Jacobi, Peter A.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2837 - 2840
• a: 15.0005 ± 0.0002 Å
• b: 14.8773 ± 0.0003 Å
• c: 14.1645 ± 0.0002 Å
• α: 90°
• β: 92.787 ± 0.001°
• γ: 90°
• Cell volume: 3157.31 ± 0.09 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No