Information card for entry 1559115

Structure parameters

• Formula: C57 H85 In N2 O5 P2
• Calculated formula: C57 H85 In N2 O5 P2
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)[P@@](C(C)(C)C)(c1ccccc1)=[N]1CC[N]3=[P@@](C(C)(C)C)(c4ccccc4)c4cc(cc(c4O[In]413(O2)O[C@H](C)C(=[O]4)OC(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations
• Authors of publication: Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 7226 - 7239
• a: 11.128 ± 0.0001 Å
• b: 18.2363 ± 0.0002 Å
• c: 30.9376 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6278.28 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No