Information card for entry 7109178

Structure parameters

• Formula: C36 H52 Cl In N2 O2
• Calculated formula: C36 H52 Cl In N2 O2
• SMILES: C1c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O[In]23([N]=1[C@H]1[C@@H](CCCC1)[N]2=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)Cl.C1c2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O[In]23([N]=1[C@@H]1[C@H](CCCC1)[N]2=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)Cl
• Title of publication: A highly active and site selective indium catalyst for lactide polymerization
• Authors of publication: Dinesh C. Aluthge; Brian O. Patricka; Parisa Mehrkhodavandi
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4295
• a: 12.805 ± 0.003 Å
• b: 26.307 ± 0.006 Å
• c: 10.923 ± 0.003 Å
• α: 90°
• β: 108.242 ± 0.004°
• γ: 90°
• Cell volume: 3494.6 ± 1.5 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No