Information card for entry 4109361

Structure parameters

• Formula: C19 H33 N O W
• Calculated formula: C19 H33 N O W
• SMILES: [W]123456([c]7([c]5([c]3([c]1([c]27C)C)C)C)C)([CH](=[CH]4C)C6)(N=O)CC(C)(C)C
• Title of publication: Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex
• Authors of publication: Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5372 - 5373
• a: 9.0412 ± 0.0002 Å
• b: 14.243 ± 0.0003 Å
• c: 15.6092 ± 0.0004 Å
• α: 90°
• β: 105.103 ± 0.001°
• γ: 90°
• Cell volume: 1940.63 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No