Information card for entry 4083131

Structure parameters

• Formula: C83.17 H71.66 O3 W
• Calculated formula: C83.17 H71.66 O3 W
• SMILES: O=[W](=CC(C)(C)c1ccccc1)(Oc1c(c(cc(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Oc1c(c(cc(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.CCCCC
• Title of publication: Tungsten Oxo Alkylidene Complexes as Initiators for the Stereoregular Polymerization of 2,3-Dicarbomethoxynorbornadiene
• Authors of publication: Forrest, William P.; Axtell, Jonathan C.; Schrock, Richard R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2313
• a: 13.0951 ± 0.0013 Å
• b: 13.5357 ± 0.0013 Å
• c: 20.0552 ± 0.0019 Å
• α: 89.389 ± 0.002°
• β: 72.787 ± 0.002°
• γ: 72.405 ± 0.002°
• Cell volume: 3224.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No