Information card for entry 1576871

Structure parameters

• Formula: C4 H2.29 O0.57 S0.29
• Calculated formula: C4 H2.28571 O0.571429 S0.285714
• Title of publication: Sulfone-functionalized stereoisomeric [3]radialene displays guest induced modulation of porous frameworks and critical crystallization-induced near-infrared emission.
• Authors of publication: Xu, Gaoqiang; Zhao, Ying; Xie, Sheng; Zhou, Zhibiao; Luo, Ziyu; Liu, Haohao; Zhang, Yang; Qiu, Zijie; Pan, Anlian; Zeng, Zebing; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 5092 - 5102
• a: 7.868 ± 0.004 Å
• b: 22.623 ± 0.015 Å
• c: 18.246 ± 0.013 Å
• α: 90°
• β: 94.783 ± 0.014°
• γ: 90°
• Cell volume: 3236 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No