Information card for entry 4118425

Structure parameters

• Formula: C56 H100 I2 In2 N4 O8
• Calculated formula: C56 H100 I2 In2 N4 O8
• SMILES: [In]123(I)(Oc4c(cc(C)cc4C(C)(C)C)C[NH]1[C@H]1[C@H]([N]3(C)C)CCCC1)[OH][In]13(I)(Oc4c(cc(C)cc4C(C)(C)C)C[NH]1[C@H]1[C@H]([N]3(C)C)CCCC1)[OH]2.C1CCOC1.C1OCCC1.C1OCCC1.O1CCCC1
• Title of publication: Mechanism of Living Lactide Polymerization by Dinuclear Indium Catalysts and Its Impact on Isoselectivity
• Authors of publication: Insun Yu; Alberto Acosta-Ramírez; Parisa Mehrkhodavandi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12758 - 12773
• a: 10.3684 ± 0.0008 Å
• b: 11.195 ± 0.0008 Å
• c: 14.5462 ± 0.0011 Å
• α: 102.916 ± 0.004°
• β: 102.609 ± 0.004°
• γ: 101.865 ± 0.004°
• Cell volume: 1547.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No