Information card for entry 1566791

Structure parameters

• Formula: C38 H63 In N2 O3
• Calculated formula: C38 H63 In N2 O3
• SMILES: [In]123(Oc4c(C[N]2(CC[N]3(C)Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc4C(C)(C)C)C(C)(C)C)OC(C)(C)C
• Title of publication: Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters
• Authors of publication: Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3295 - 3302
• a: 11.4082 ± 0.0016 Å
• b: 13.035 ± 0.002 Å
• c: 14.939 ± 0.002 Å
• α: 66.497 ± 0.006°
• β: 68.941 ± 0.006°
• γ: 83.213 ± 0.007°
• Cell volume: 1900.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No