Information card for entry 7155490

Structure parameters

• Formula: C23 H27 N O4 S
• Calculated formula: C23 H27 N O4 S
• SMILES: S(=O)(=O)(N1CC2(CC=CCC2)c2c(C1)cc(OC)cc2OC)c1ccc(cc1)C
• Title of publication: Broad scope gold(i)-catalysed polyenyne cyclisations for the formation of up to four carbon-carbon bonds.
• Authors of publication: Rong, Zhouting; Echavarren, Antonio M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2163 - 2167
• a: 9.4223 ± 0.0006 Å
• b: 20.649 ± 0.0013 Å
• c: 10.9082 ± 0.0008 Å
• α: 90°
• β: 105.964 ± 0.0019°
• γ: 90°
• Cell volume: 2040.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1111
• 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