Information card for entry 4075591

Structure parameters

• Common name: Complex 7
• Formula: C27 H45 N O W
• Calculated formula: C27 H45 N O W
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[W]1672345([CH](C(C)(C)C)=[C]1(CC)C6(CC)C(=C7CC)CC)N=O)C)C)C)C
• 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: 10.792 ± 0.001 Å
• b: 16.44 ± 0.001 Å
• c: 14.468 ± 0.001 Å
• α: 90°
• β: 91.629 ± 0.003°
• γ: 90°
• Cell volume: 2565.9 ± 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: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No