Information card for entry 1559114

Structure parameters

• Formula: C50 H74 N2 O2 P2
• Calculated formula: C50 H74 N2 O2 P2
• 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: 11.4385 ± 0.0004 Å
• b: 15.3688 ± 0.0005 Å
• c: 15.4343 ± 0.0005 Å
• α: 83.413 ± 0.003°
• β: 78.85 ± 0.003°
• γ: 78.526 ± 0.003°
• Cell volume: 2600.66 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0548
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No