Information card for entry 1558166

Structure parameters

• Formula: C55 H49 Co N4 O3
• Calculated formula: C55 H49 Co N4 O3
• SMILES: [Co]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1c(cc(cc1C)C)C)cc2)c1c(cc(cc1C)C)C)cc3)c1c(cc(cc1C)C)C)cc6)c1ccc(O)cc1)C(=O)OC
• Title of publication: Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity
• Authors of publication: Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 4387 - 4395
• a: 26.2516 ± 0.0005 Å
• b: 26.2516 ± 0.0005 Å
• c: 26.8975 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16052.9 ± 0.6 ų
• Cell temperature: 179.98 ± 0.15 K
• Ambient diffraction temperature: 179.98 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No