Information card for entry 4130343

Structure parameters

• Common name: SVK1_81
• Formula: C19 H24 F18 Mo O5
• Calculated formula: C19 H24 F18 Mo O5
• SMILES: C(CC)#[Mo]1(OC(C(F)(F)F)(C(F)(F)F)C)(OC(C(F)(F)F)(C(F)(F)F)C)(OC(C(F)(F)F)(C(F)(F)F)C)[O](C)CC[O]1C
• Title of publication: Initiator Control of Conjugated Polymer Topology in Ring-Opening Alkyne Metathesis Polymerization.
• Authors of publication: von Kugelgen, Stephen; Bellone, Donatela E.; Cloke, Ryan R.; Perkins, Wade S.; Fischer, Felix R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 19
• Pages of publication: 6234 - 6239
• a: 11.4678 ± 0.0009 Å
• b: 16.8911 ± 0.0014 Å
• c: 13.8634 ± 0.0011 Å
• α: 90°
• β: 91.155 ± 0.002°
• γ: 90°
• Cell volume: 2684.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No