Information card for entry 7114452

Structure parameters

• Common name: jul1300
• Formula: C38 H56 Li N3 O
• Calculated formula: C38 H51 Li N3 O
• Title of publication: Nucleophilic attack at pyridine nitrogen and its use to access a novel mono-anionic ligand for iron-based ethylene polymerisation catalystsElectronic supplementary information (ESI) available: further characterisation data for 2a‒5a. See http://www.rsc.org/suppdata/cc/b2/b203805f/
• Authors of publication: Clentsmith, Guy K. B.; Gibson, Vernon C.; Hitchcock, Peter B.; Kimberley, Brian S.; Rees, Charles W.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1498
• a: 12.9736 ± 0.001 Å
• b: 13.9491 ± 0.001 Å
• c: 19.6901 ± 0.0014 Å
• α: 90°
• β: 96.189 ± 0.004°
• γ: 90°
• Cell volume: 3542.6 ± 0.5 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: 0.0781
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No