Information card for entry 7038454

Structure parameters

• Formula: C28 H38 Cl2 N2 O2
• Calculated formula: C28 H38 Cl2 N2 O2
• SMILES: Clc1cc(Cl)cc([C@@H]2N(Cc3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)C[C@H]3N2CCCC3)c1O.Clc1cc(Cl)cc([C@H]2N(Cc3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)C[C@@H]3N2CCCC3)c1O
• Title of publication: Aminopiperidine based complexes for lactide polymerisation.
• Authors of publication: McKeown, P.; Davidson, M. G.; Lowe, J. P.; Mahon, M. F.; Thomas, L. H.; Woodman, T. J.; Jones, M. D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5374 - 5387
• a: 10.7434 ± 0.0009 Å
• b: 11.2767 ± 0.0011 Å
• c: 11.909 ± 0.0011 Å
• α: 85.543 ± 0.008°
• β: 87.13 ± 0.007°
• γ: 70.262 ± 0.008°
• Cell volume: 1353.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No