Information card for entry 7219302

Structure parameters

• Formula: C44 H58 N2 O2 Ti
• Calculated formula: C44 H58 N2 O2 Ti
• SMILES: [Ti]1(OC(C)C)(OC(C)C)N(c2c(cccc2C(C)C)C(C)C)[C@@H]2c3c(c4c(cccc4)[C@@H]2N1c1c(cccc1C(C)C)C(C)C)cccc3
• Title of publication: Stereoselective Ring-Opening Polymerization of rac-Lactides Catalyzed by Titanium Complexes Containing N, N-Bidentate Phenanthrene Derivatives
• Authors of publication: Gao, Bo; Duan, Qian; Li, Yanhui; Li, Dongni; Zhang, Liqiu; Cui, Yuan; Hu, Ning-Hai; Pang, Xuan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.034 ± 0.006 Å
• b: 18.233 ± 0.006 Å
• c: 12.983 ± 0.004 Å
• α: 90°
• β: 94.444 ± 0.006°
• γ: 90°
• Cell volume: 4020 ± 2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No