Information card for entry 4075592

Structure parameters

• Common name: Complex 5a
• Formula: C22 H33 N O2 W
• Calculated formula: C22 H33 N O2 W
• SMILES: [W]1234(N=O)([c]5([c]2([c]1([c]4([c]35C)C)C)C)C)(CC(C)(C)C)c1c(OC)cccc1
• Title of publication: Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination
• Authors of publication: Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4215
• a: 10.6196 ± 0.0011 Å
• b: 18.1403 ± 0.0013 Å
• c: 11.2112 ± 0.001 Å
• α: 90°
• β: 97.101 ± 0.003°
• γ: 90°
• Cell volume: 2143.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No