Information card for entry 4515185

Structure parameters

• Formula: C31 H22 N2 O4 S
• Calculated formula: C31 H22 N2 O4 S
• SMILES: S(=O)(=O)(N1c2c(cccc2)C(=C(c2ccccc2)\CC(=O)c2ccc(cc2)C#N)\C1=O)c1ccc(cc1)C
• Title of publication: Direct Construction of Acid-Responsive Poly(indolone)s through Multicomponent Tandem Polymerizations
• Authors of publication: Qi, Chunxuan; Zheng, Chao; Hu, Rongrong; Tang, Ben Zhong
• Journal of publication: ACS Macro Letters
• Year of publication: 2019
• Pages of publication: 569
• a: 9.0655 ± 0.0002 Å
• b: 10.1856 ± 0.0003 Å
• c: 27.0162 ± 0.0007 Å
• α: 90°
• β: 91.193 ± 0.002°
• γ: 90°
• Cell volume: 2494.07 ± 0.11 ų
• Cell temperature: 107 ± 5 K
• Ambient diffraction temperature: 107 ± 5 K
• Number of distinct elements: 5
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No