Information card for entry 1559116

Structure parameters

• Formula: C65 H87 In N2 O4 P2
• Calculated formula: C65 H87 In N2 O4 P2
• SMILES: c12c(cc(cc1P(c1ccccc1)(c1ccccc1)=[N]1CC(C)(C)C[N]3=P(c4ccccc4)(c4ccccc4)c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[In]13(O2)OC(C)(C)C)C(C)(C)C)C(C)(C)C.C1COCC1
• 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: 20.6809 ± 0.0002 Å
• b: 18.5748 ± 0.0002 Å
• c: 15.7154 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6036.97 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No