Information card for entry 4118424

Structure parameters

• Formula: C48 H83 I2 In2 N4 O4
• Calculated formula: C48 H83 I2 In2 N4 O4
• SMILES: [N]1([C@@H]2CCCC[C@H]2[NH]2Cc3c(O[In]412(O[In]12([N]([C@H]5[C@@H](CCCC5)[NH]1Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)(C)C)([O]4CC)I)I)c(cc(c3)C(C)(C)C)C(C)(C)C)(C)C
• 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: 10.5934 ± 0.0002 Å
• b: 17.4212 ± 0.0004 Å
• c: 15.661 ± 0.0003 Å
• α: 90°
• β: 102.128 ± 0.001°
• γ: 90°
• Cell volume: 2825.73 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0599
• 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