Information card for entry 7135538

Structure parameters

• Formula: C106 H100 O8
• Calculated formula: C106 H100 O8
• Title of publication: Highly selective separation of toluene/methylcyclohexane using clamparene-based 3D porous crystals.
• Authors of publication: Li, Zhenyu; Jiang, Jingxiong; Jia, Xiaoxi; Wang, Ke; Shi, Wenjing; Qu, Wen-Juan; Lin, Qi; Wei, Tai-Bao; Shi, Bingbing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 7
• Pages of publication: 2326 - 2329
• a: 13.7434 ± 0.0002 Å
• b: 35.5425 ± 0.0004 Å
• c: 17.7905 ± 0.0003 Å
• α: 90°
• β: 106.626 ± 0.002°
• γ: 90°
• Cell volume: 8326.9 ± 0.2 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.1074
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No