Information card for entry 7028474

Structure parameters

• Common name: Chisholm 1955
• Formula: C46 H72 Mg N4 O4
• Calculated formula: C46 H72 Mg N4 O4
• SMILES: CCOCC.c1(c(cccc1C(C)C)C(C)C)N1C(=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Mg]21([O]=C(C(C)(C)O2)OCC)[n]1ccc(cc1)N(C)C)C)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: 17.5272 ± 0.0004 Å
• b: 15.8378 ± 0.0004 Å
• c: 18.0904 ± 0.0003 Å
• α: 90°
• β: 113.847 ± 0.001°
• γ: 90°
• Cell volume: 4593.04 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No