Information card for entry 7014851

Structure parameters

• Formula: C21 H35 N O2
• Calculated formula: C21 H35 N O2
• SMILES: Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1CN1CCC[C@H]1COC
• Title of publication: Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.
• Authors of publication: Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 523 - 534
• a: 10.7292 ± 0.0003 Å
• b: 10.7292 Å
• c: 29.5051 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2941.46 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No