Information card for entry 4131481

Structure parameters

• Formula: C17 H9 N
• Calculated formula: C17 H9 N
• SMILES: [N](c1ccc2ccc3cccc4ccc1c2c34)#[C]
• Title of publication: Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.
• Authors of publication: Cueny, Eric S.; Johnson, Heather C.; Anding, Bernie J.; Landis, Clark R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 11903 - 11912
• a: 6.8696 ± 0.0003 Å
• b: 8.582 ± 0.0003 Å
• c: 9.9548 ± 0.0004 Å
• α: 105.668 ± 0.003°
• β: 98.054 ± 0.003°
• γ: 98.994 ± 0.002°
• Cell volume: 547.78 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No