Information card for entry 7716225

Structure parameters

• Chemical name: Ph-BOX-Y
• Formula: C29 H51 N2 O3 Si2 Y
• Calculated formula: C29 H51 N2 O3 Si2 Y
• Title of publication: Synthesis of Bis(oxazoline)-based Rare-earth Metal Complexes and Their Catalytic Performance in the Polymerization of Isoprene and Polar ortho-Methoxystyrene
• Authors of publication: You, Shuhao; Shi, Wenyu; Ouyang, Ruoxue; Wang, Yang; Shi, Xiaochao
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.3675 ± 0.0012 Å
• b: 11.7613 ± 0.0012 Å
• c: 14.9863 ± 0.001 Å
• α: 92.529 ± 0.003°
• β: 100.532 ± 0.003°
• γ: 112.138 ± 0.002°
• Cell volume: 1651.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No