Information card for entry 4130077

Structure parameters

• Formula: C62 H72 O6 W2
• Calculated formula: C62 H72 O6 W2
• SMILES: [W]123([O]([W]45([O]1c1c(c6cccc(c6C=4C(C)(C)C)c4c(O5)c(ccc4)C(C)(C)C)cccc1C(C)(C)C)=O)c1c(c4c(C=3C(C)(C)C)c(ccc4)c3c(O2)c(ccc3)C(C)(C)C)cccc1C(C)(C)C)=O
• Title of publication: Highly Tactic Cyclic Polynorbornene: Stereoselective Ring Expansion Metathesis Polymerization of Norbornene Catalyzed by a New Tethered Tungsten-Alkylidene Catalyst.
• Authors of publication: Gonsales, Stella A.; Kubo, Tomohiro; Flint, Madison K.; Abboud, Khalil A.; Sumerlin, Brent S.; Veige, Adam S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 15
• Pages of publication: 4996 - 4999
• a: 15.3264 ± 0.0005 Å
• b: 18.753 ± 0.0006 Å
• c: 18.9589 ± 0.0006 Å
• α: 90°
• β: 103.362 ± 0.0006°
• γ: 90°
• Cell volume: 5301.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No