Information card for entry 1548634

Structure parameters

• Formula: C19 H27 N O S
• Calculated formula: C19 H27 N O S
• SMILES: S([C@H]1CCC=CCC[C@@H]1N1CCOCC1)c1ccc(cc1)C.S([C@@H]1CCC=CCC[C@H]1N1CCOCC1)c1ccc(cc1)C
• Title of publication: Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.
• Authors of publication: Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1846 - 1853
• a: 13.4779 ± 0.0014 Å
• b: 8.1983 ± 0.0009 Å
• c: 31.894 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3524.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No