Information card for entry 4126605

Structure parameters

• Common name: HJ2035
• Chemical name: SVK3_36
• Formula: C29 H26 F18 Mo N2 O5
• Calculated formula: C29 H26 F18 Mo N2 O5
• SMILES: C(C)(C(F)(F)F)(C(F)(F)F)O[Mo]123(=C(C(=C1N1C(=[O]2)CCC1)c1ccccc1)N1C(CCC1)=[O]3)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F
• 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: 10.0185 ± 0.0003 Å
• b: 10.8539 ± 0.0003 Å
• c: 17.1855 ± 0.0005 Å
• α: 77.653 ± 0.002°
• β: 80.752 ± 0.002°
• γ: 84.727 ± 0.002°
• Cell volume: 1798.59 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No