Information card for entry 4126604

Structure parameters

• Common name: HJ3043
• Chemical name: SVK3_177
• Formula: C51 H50 F18 Mo N2 O7 S2
• Calculated formula: C51 H50 F18 Mo N2 O7 S2
• Title of publication: Regioselective Termination Reagents for Ring-Opening Alkyne Metathesis Polymerization.
• Authors of publication: Jeong, Hyangsoo; von Kugelgen, Stephen; Bellone, Donatela; Fischer, Felix R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.7331 ± 0.0006 Å
• b: 10.8919 ± 0.0007 Å
• c: 25.2888 ± 0.0016 Å
• α: 78.597 ± 0.003°
• β: 78.146 ± 0.003°
• γ: 85.05 ± 0.003°
• Cell volume: 2833 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1385
• 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: Yes
• Has Fobs: No