Information card for entry 4118422

Structure parameters

• Formula: C48 H84 Cl8 I2 In2 N4 O4
• Calculated formula: C48 H84 Cl8 I2 In2 N4 O4
• SMILES: [C@@H]12[C@H](CCCC1)[N](C)(C)[In]13([NH]2Cc2c(c(cc(c2)C)C(C)(C)C)O1)([O](CC)[In]12([NH]([C@@H]4[C@H](CCCC4)[N]1(C)C)Cc1c(c(cc(c1)C)C(C)(C)C)O2)([O]3CC)I)I.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 9.328 ± 0.0006 Å
• b: 11.9779 ± 0.0009 Å
• c: 14.8126 ± 0.0009 Å
• α: 81.227 ± 0.004°
• β: 84.778 ± 0.004°
• γ: 69.172 ± 0.004°
• Cell volume: 1527.55 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No