Information card for entry 7246321

Structure parameters

• Formula: C10.33 H7.33 N1.33 O1.33 S0.67
• Calculated formula: C10.3333 H7.33333 N1.33333 O1.33333 S0.666667
• Title of publication: Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species
• Authors of publication: Zhang, Zhicheng; Wen, Linzi; Xu, Shihai; Tang, Yu; Cao, Xiaohui; Feng, Pengju
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 2287 - 2292
• a: 10.3322 ± 0.0002 Å
• b: 10.7423 ± 0.0002 Å
• c: 14.3583 ± 0.0002 Å
• α: 97.245 ± 0.002°
• β: 100.734 ± 0.002°
• γ: 116.704 ± 0.002°
• Cell volume: 1358.21 ± 0.05 ų
• Cell temperature: 298.06 ± 0.1 K
• Ambient diffraction temperature: 298.06 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No