Information card for entry 1563691

Structure parameters

• Formula: C51 H84 Al N2 O4 P
• Calculated formula: C51 H84 Al N2 O4 P
• SMILES: [Al](OC(=C(\CP(=Nc1cc[n+](cc1)CC)(C(C)(C)C)C(C)(C)C)C)\OC)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C
• Title of publication: Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs
• Authors of publication: Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 29
• Pages of publication: 4226 - 4234
• a: 23.69 ± 0.002 Å
• b: 12.7455 ± 0.0011 Å
• c: 23.188 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7001.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1243
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No