Information card for entry 4126070

Structure parameters

• Common name: SVK3_32
• Formula: C23 H23 F18 Mo N O7
• Calculated formula: C23 H23 F18 Mo N O7
• SMILES: [Mo]1(OC(C(F)(F)F)(C)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)([O](CC[O]1C)C)(OC(C(F)(F)F)(C(F)(F)F)C)#Cc1ccc(cc1)N(=O)=O
• Title of publication: Regioselective Carbyne Transfer to Ring-Opening Alkyne Metathesis Initiators Gives Access to Telechelic Polymers.
• Authors of publication: von Kugelgen, Stephen; Sifri, Renee; Bellone, Donatela; Fischer, Felix R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.4048 ± 0.0005 Å
• b: 9.2801 ± 0.0005 Å
• c: 17.2135 ± 0.0009 Å
• α: 90°
• β: 98.63 ± 0.003°
• γ: 90°
• Cell volume: 1485.34 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No