Information card for entry 1546770

Structure parameters

• Formula: C45 H68 Co N3 O3
• Calculated formula: C45 H68 Co N3 O3
• SMILES: [Co]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NC(C)C1CCCCC1.[Co]123(Oc4c(C=[N]2[C@@H]2[C@@H]([N]3=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NC(C)C1CCCCC1
• Title of publication: Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes
• Authors of publication: Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 16.383 ± 0.003 Å
• b: 10.7067 ± 0.0018 Å
• c: 23.844 ± 0.004 Å
• α: 90°
• β: 90.313 ± 0.003°
• γ: 90°
• Cell volume: 4182.4 ± 1.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.129
• Residual factor for significantly intense reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.2472
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No