Information card for entry 1544136

Structure parameters

• Common name: a-4
• Chemical name: propane-2,2-diylbis(4,1-phenylene) (2Z,2'Z)-bis(3-phenyl-3-(phenylamino)acrylate)
• Formula: C45 H38 N2 O4
• Calculated formula: C45 H38 N2 O4
• SMILES: O=C(Oc1ccc(cc1)C(C)(c1ccc(OC(=O)/C=C(\Nc2ccccc2)c2ccccc2)cc1)C)/C=C(\Nc1ccccc1)c1ccccc1
• Title of publication: Cu(i)-Catalyzed amino-yne click polymerization
• Authors of publication: He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 48
• Pages of publication: 7375
• a: 12.0454 ± 0.0006 Å
• b: 19.9342 ± 0.0012 Å
• c: 15.6271 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3752.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No