Information card for entry 4314500

Structure parameters

• Formula: C42 H81 In O5 P2
• Calculated formula: C42 H81 In O5 P2
• SMILES: C1[C@H](C(C)(C)C)O[In]2([O]=P1(C(C)(C)C)C(C)(C)C)([O]=P(C[C@H](C(C)(C)C)O2)(C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)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: 10.5951 ± 0.0002 Å
• b: 18.1438 ± 0.0004 Å
• c: 24.2262 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4657.13 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No