Information card for entry 4081614

Structure parameters

• Formula: C35 H26 Al F N2 O2
• Calculated formula: C35 H26 Al F N2 O2
• SMILES: [Al]123([O](c4c(N2c2ccc5ccccc5c2c2c([N]3=Cc3c(O1)cccc3)ccc1ccccc21)ccc(F)c4)C)C
• Title of publication: Stereoselective Ring-Opening Polymerization ofrac-Lactides Catalyzed by Aluminum Hemi-Salen Complexes
• Authors of publication: Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Tang, Zhaohui; Zhuang, Xiuli; Chen, Xuesi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5435
• a: 17.7392 ± 0.0017 Å
• b: 11.0211 ± 0.001 Å
• c: 17.5989 ± 0.0017 Å
• α: 90°
• β: 95.051 ± 0.002°
• γ: 90°
• Cell volume: 3427.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No