Information card for entry 4515649

Structure parameters

• Formula: C30 H42 N2 O4 S2
• Calculated formula: C30 H42 N2 O4 S2
• SMILES: c1cc(C)ccc1S(=O)(=O)N1CCCC=CCCCN(CCCC=CCCC1)S(=O)(=O)c1ccc(C)cc1
• Title of publication: Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis
• Authors of publication: Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 5574
• a: 32.802 ± 0.005 Å
• b: 8.4124 ± 0.0014 Å
• c: 10.9145 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3011.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2129
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No