Information card for entry 1543989

Structure parameters

• Formula: C37 H33 N O3 S
• Calculated formula: C37 H33 N O3 S
• SMILES: S(=O)(=O)(/N=C(OCC)\Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C)cc1
• 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: 17.4283 ± 0.0006 Å
• b: 9.6165 ± 0.0002 Å
• c: 19.5792 ± 0.0007 Å
• α: 90°
• β: 115.005 ± 0.004°
• γ: 90°
• Cell volume: 2973.89 ± 0.19 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No