Information card for entry 4314501

Structure parameters

• Formula: C46 H100 In O8 P3
• Calculated formula: C46 H100 In O8 P3
• SMILES: [In]123([O]=P(C(C)(C)C)(C(C)(C)C)C[C@@H](O1)C(C)(C)C)([O]=P(C(C)(C)C)(C(C)(C)C)C[C@@H](O2)C(C)(C)C)[O]=P(C(C)(C)C)(C(C)(C)C)C[C@@H](O3)C(C)(C)C.O(CCOC)C
• Title of publication: Chiral Indium Alkoxide Complexes as Initiators for the Stereoselective Ring-Opening Polymerization of rac-Lactide
• Authors of publication: Jean-Charles Buffet; Jun Okuda; Polly L. Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 419 - 426
• a: 12.5537 ± 0.0018 Å
• b: 12.5537 ± 0.0018 Å
• c: 35.309 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5564.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No