Information card for entry 1543988

Structure parameters

• Formula: C36 H31 Cl2 N O3 S
• Calculated formula: C36 H31 Cl2 N O3 S
• SMILES: ClCCl.S(=O)(=O)(NC(=O)Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(cc1)C
• Title of publication: Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants
• Authors of publication: Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 5646
• a: 128.559 ± 0.003 Å
• b: 18.5908 ± 0.0004 Å
• c: 5.29842 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12663.3 ± 0.5 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No