Information card for entry 4071785

Structure parameters

• Formula: C22 H31 N O W
• Calculated formula: C22 H31 N O W
• SMILES: [W]1234567(N=O)([c]8([c]5([c]7([c]6([c]18C)C)C)C)C)C1[CH]2=[CH]4[C@H]([C@H]2[C@@H]3C=CCC2)CC1.[W]1234567(N=O)([c]8([c]5([c]7([c]6([c]18C)C)C)C)C)C1[CH]2=[CH]4[C@@H]([C@@H]2[C@H]3C=CCC2)CC1
• 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: 8.1917 ± 0.0006 Å
• b: 9.7406 ± 0.0009 Å
• c: 13.6903 ± 0.0013 Å
• α: 73.624 ± 0.003°
• β: 89.272 ± 0.003°
• γ: 65.724 ± 0.003°
• Cell volume: 948.71 ± 0.15 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: 0.0185
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No