Information card for entry 4515648

Structure parameters

• Formula: C30 H42 N2 O4 S2
• Calculated formula: C30 H42 N2 O4 S2
• 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: 19.6621 ± 0.0012 Å
• b: 8.3363 ± 0.0005 Å
• c: 19.9464 ± 0.0013 Å
• α: 90°
• β: 112.146 ± 0.002°
• γ: 90°
• Cell volume: 3028.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1312
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2932
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No