Information card for entry 4079582

Structure parameters

• Formula: C45 H47 N O2 W
• Calculated formula: C45 H47 N O2 W
• SMILES: [W](=O)(Oc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(n1c(ccc1c1ccccc1)c1ccccc1)=CC(C)(C)C
• Title of publication: Synthesis of Tungsten Oxo Alkylidene Complexes
• Authors of publication: Peryshkov, Dmitry V.; Schrock, Richard R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7278
• a: 9.6557 ± 0.0008 Å
• b: 10.7803 ± 0.0009 Å
• c: 19.4906 ± 0.0017 Å
• α: 83.319 ± 0.002°
• β: 79.01 ± 0.002°
• γ: 73.73 ± 0.002°
• Cell volume: 1907.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No