Information card for entry 7028473

Structure parameters

• Common name: chisholm1953
• Formula: C40 H57 Mg N3 O3
• Calculated formula: C40 H57 Mg N3 O3
• SMILES: CC(C)c1c(c(ccc1)C(C)C)[N]1=C(C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Mg]21([O]=C(C(C)(C)O2)OCC)[n]1ccccc1)C
• Title of publication: Ethyl 2-hydroxy-2-methylpropanoate derivatives of magnesium and zinc. The effect of chelation on the homo- and copolymerization of lactide and ε-caprolactone.
• Authors of publication: Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Choojun, Kittisak; Durr, Christopher B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2781 - 2788
• a: 10.1789 ± 0.0004 Å
• b: 16.564 ± 0.0007 Å
• c: 23.5952 ± 0.0008 Å
• α: 90°
• β: 96.303 ± 0.003°
• γ: 90°
• Cell volume: 3954.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1582
• 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