Information card for entry 4075594

Structure parameters

• Common name: Complex 10c
• Formula: C21 H29 F2 N O W
• Calculated formula: C21 H29 F2 N O W
• SMILES: [W]1234(CC(C)(C)C)([c]5([c]1(C)[c]2(C)[c]4([c]35C)C)C)(c1c(cccc1F)F)N=O
• 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: 8.0777 ± 0.0006 Å
• b: 9.4908 ± 0.0008 Å
• c: 14.7275 ± 0.0013 Å
• α: 72.039 ± 0.003°
• β: 89.092 ± 0.002°
• γ: 77.726 ± 0.002°
• Cell volume: 1047.99 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0126
• Weighted residual factors for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No