Information card for entry 4024834

Structure parameters

• Formula: C20 H26 N2 O5 S Si
• Calculated formula: C20 H26 N2 O5 S Si
• SMILES: [Si](c1c(cn(S(=O)(=O)N(C)C)c1C(=O)OC)C#Cc1ccc(OC)cc1)(C)(C)C
• Title of publication: Correction to Highly Regioselective Synthesis of 2,3,4-Trisubstituted 1H-Pyrroles: A Formal Total Synthesis of Lukianol A
• Authors of publication: Jian-Hui Liu; Qing-Chuan Yang; Thomas C. W. Mak; Henry N. C. Wong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6906 - 6906
• a: 8.4163 ± 0.0002 Å
• b: 13.8017 ± 0.0003 Å
• c: 19.2457 ± 0.0005 Å
• α: 90°
• β: 92.316 ± 0.002°
• γ: 90°
• Cell volume: 2233.74 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No