Information card for entry 1502773

Structure parameters

• Formula: C30 H53 Mg N3 O2 Si2
• Calculated formula: C30 H53 Mg N3 O2 Si2
• SMILES: [Mg]123(N([Si](C)(C)C)[Si](C)(C)C)[N](Cc4c(O3)c(cc(c4)C)C(C)(C)C)(Cc3ccccc3[O]2C)CC[N]1(C)C
• Title of publication: Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Wang, Liying; Ma, Haiyan
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6535
• a: 13.032 ± 0.004 Å
• b: 14.817 ± 0.005 Å
• c: 17.543 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3387.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No