Information card for entry 1516452

Structure parameters

• Formula: C36 H42 N2 O2
• Calculated formula: C36 H42 N2 O2
• SMILES: O=C1c2c(O)c(ccc2C=C/C1=C/Nc1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C
• Title of publication: Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts
• Authors of publication: Salata, Michael R.; Marks, Tobin J.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 1920
• a: 10.0592 ± 0.0008 Å
• b: 23.0731 ± 0.0018 Å
• c: 13.9928 ± 0.0011 Å
• α: 90°
• β: 109.435 ± 0.001°
• γ: 90°
• Cell volume: 3062.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No