Information card for entry 4118421

Structure parameters

• Formula: C22 H36 I2 In N3 O
• Calculated formula: C22 H36 I2 In N3 O
• SMILES: [C@@H]12[C@H](CCCC1)[N](C)(C)[In]1([NH]2Cc2c(c(cc(c2)C)C(C)(C)C)O1)(I)I.CC#N
• 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: 8.29 ± 0.0003 Å
• b: 12.3742 ± 0.0005 Å
• c: 12.9732 ± 0.0005 Å
• α: 90°
• β: 98.477 ± 0.002°
• γ: 90°
• Cell volume: 1316.28 ± 0.09 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: 0.0313
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No