Information card for entry 7155491

Structure parameters

• Formula: C23 H27 N O5
• Calculated formula: C23 H27 N O5
• SMILES: n1(c2ccc(OC)cc2c2C(C[C@@H]3C=CCC[C@]3(c12)C)(C(=O)OC)C(=O)OC)C.n1(c2ccc(OC)cc2c2C(C[C@H]3C=CCC[C@@]3(c12)C)(C(=O)OC)C(=O)OC)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: 9.8767 ± 0.0014 Å
• b: 23.638 ± 0.003 Å
• c: 8.6175 ± 0.0012 Å
• α: 90°
• β: 102.363 ± 0.004°
• γ: 90°
• Cell volume: 1965.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No