Information card for entry 1520958

Structure parameters

• Formula: C64 H58 In N3 O3 Si2
• Calculated formula: C64 H58 In N3 O3 Si2
• SMILES: [In]1234(Oc5c(C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c([Si](c1ccccc1)(c1ccccc1)c1ccccc1)cc(c3)C)CCCC2)cc(cc5[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C)OCc1[n]4cccc1
• Title of publication: Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization
• Authors of publication: Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5284
• a: 12.019 ± 0.005 Å
• b: 20.066 ± 0.009 Å
• c: 23.278 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5614 ± 4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0647
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No