Information card for entry 4085305

Structure parameters

• Formula: C37 H58 K N O4
• Calculated formula: C37 H58 K N O4
• SMILES: [K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[O-]c1c(/C=N/c2c(C(C)(C)C)cccc2)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Metal and Ligand-Substituent Effects in the Immortal Polymerization ofrac-Lactide with Li, Na, and K Phenoxo-imine Complexes
• Authors of publication: García-Valle, Francisco M.; Estivill, Robert; Gallegos, Carlos; Cuenca, Tomás; Mosquera, Marta E. G.; Tabernero, Vanessa; Cano, Jesús
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 477
• a: 11.372 ± 0.006 Å
• b: 17.158 ± 0.01 Å
• c: 20.651 ± 0.002 Å
• α: 78.495 ± 0.015°
• β: 83.256 ± 0.017°
• γ: 72.24 ± 0.03°
• Cell volume: 3753 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No