Information card for entry 7022474

Structure parameters

• Formula: C42 H72 Li2 N2 O6
• Calculated formula: C42 H72 Li2 N2 O6
• SMILES: [Li]123[O](c4c(cc(cc4C[N]2(CC[O]3C)CCOC)C(C)(C)C)C(C)(C)C)[Li]23[O]1(c1c(cc(cc1C[N]2(CC[O]3C)CCOC)C(C)(C)C)C(C)(C)C)
• Title of publication: Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.
• Authors of publication: Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9361 - 9375
• a: 26.792 ± 0.009 Å
• b: 8.593 ± 0.003 Å
• c: 19.31 ± 0.008 Å
• α: 90°
• β: 99.763 ± 0.019°
• γ: 90°
• Cell volume: 4381 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No