Information card for entry 1556330

Structure parameters

• Common name: Compound L5
• Formula: C44 H56 N2 O2
• Calculated formula: C44 H56 N2 O2
• SMILES: c1(c(cc(cc1C(C)(C)C)C(C)(C)C)/C=N/c1c(CCc2c(cccc2)/N=C/c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O)cccc1)O
• Title of publication: Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts
• Authors of publication: Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 152
• a: 9.6297 ± 0.0003 Å
• b: 12.1792 ± 0.0004 Å
• c: 16.2276 ± 0.0006 Å
• α: 90°
• β: 100.851 ± 0.004°
• γ: 90°
• Cell volume: 1869.18 ± 0.11 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No