Information card for entry 4130834

Structure parameters

• Formula: C30 H44 Cl3 Mg N3 O
• Calculated formula: C30 H44 Cl3 Mg N3 O
• SMILES: [Mg]123(Cl)Oc4c(C[N]52[C@@H]([C@@H]2[N]1(CCC2)Cc1[n]3cccc1)CCC5)cc(cc4C(C)(C)C)C(C)(C)C.ClCCl
• Title of publication: Tailor-Made Stereoblock Copolymers of Poly(lactic acid) by a Truly Living Polymerization Catalyst.
• Authors of publication: Rosen, Tomer; Goldberg, Israel; Venditto, Vincenzo; Kol, Moshe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 37
• Pages of publication: 12041 - 12044
• a: 7.9066 ± 0.0005 Å
• b: 17.551 ± 0.0013 Å
• c: 22.4279 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3112.3 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No