Information card for entry 4071783

Structure parameters

• Formula: C26 H41 N O W
• Calculated formula: C26 H40 N O W
• SMILES: [W]12345(N=O)(C6CCCCCC[C]16=[CH]1C=CCCCCC1)[c]1([c]3([c]2([c]4([c]51C)C)C)C)C
• Title of publication: Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes
• Authors of publication: Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4724
• a: 14.605 ± 0.0005 Å
• b: 8.6048 ± 0.0003 Å
• c: 20.1135 ± 0.0007 Å
• α: 90°
• β: 108.781 ± 0.001°
• γ: 90°
• Cell volume: 2393.14 ± 0.14 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No