Information card for entry 7101113

Structure parameters

• Formula: C39 H58 Al Cl N2 O3
• Calculated formula: C39 H58 Al Cl N2 O3
• Title of publication: Concerning the relative importance of enantiomorphic site versus chain end control in the stereoselective polymerization of lactides: reactions of (R,R-salen)- and (S,S-salen)-aluminum alkoxides LAlOCH2R complexes (R == CH3 and S-CHMeCl)
• Authors of publication: Malcolm Chisholm; Nathan J. Patmore
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 14.9232 ± 0.001 Å
• b: 11.0214 ± 0.001 Å
• c: 23.44 ± 0.003 Å
• α: 90°
• β: 93.397 ± 0.001°
• γ: 90°
• Cell volume: 3848.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No