Information card for entry 4071782

Structure parameters

• Formula: C26 H41 N O W
• Calculated formula: C26 H41 N O W
• SMILES: [CH]12CCCCCC[C]3=1C1[CH]4=[CH](CCCCC1)[W]1567234([c]2([c]1([c]5([c]6([c]72C)C)C)C)C)N=O
• 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: 9.7773 ± 0.0015 Å
• b: 11.3376 ± 0.0017 Å
• c: 11.7186 ± 0.0018 Å
• α: 77.63 ± 0.006°
• β: 65.729 ± 0.005°
• γ: 88.019 ± 0.006°
• Cell volume: 1154.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1159
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No