Information card for entry 4071784

Structure parameters

• Formula: C24 H31 N O W
• Calculated formula: C24 H31 N O W
• SMILES: [W]1234567(N=O)([c]8([c]4(C)[c]6([c]5([c]28C)C)C)C)[CH]2CCCC([CH]3=2)[CH]7=[CH]1c1ccccc1
• 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: 16.821 ± 0.0007 Å
• b: 12.6397 ± 0.0005 Å
• c: 9.6412 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049.84 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No