Information card for entry 1557270

Structure parameters

• Formula: C17 H30 Cl2 Co N3 O3 P
• Calculated formula: C17 H30 Cl2 Co N3 O3 P
• SMILES: [Co]1(Cl)(Cl)([OH]C)[n]2c(NP(=O)(C(C)(C)C)C(C)(C)C)cccc2C2OCC[N]1=2
• Title of publication: Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene
• Authors of publication: Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2034 - 2043
• a: 16.5582 ± 0.0003 Å
• b: 8.7009 ± 0.0001 Å
• c: 16.729 ± 0.0003 Å
• α: 90°
• β: 111.858 ± 0.002°
• γ: 90°
• Cell volume: 2236.9 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No