Information card for entry 1576670

Structure parameters

• Formula: C51 H34 O8
• Calculated formula: C49.6 H34 O8
• Title of publication: Spatial pinning of globally inert pores in a superhydrophobic hydrogen-bonded organic framework for inverse ethane/ethylene separation.
• Authors of publication: Cai, Youlie; Li, Jing-Hong; Xiao, Xiaoyan; Wei, Runzhi; Lin, Rui-Biao; Chen, Banglin; Gao, Junkuo
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4256 - 4267
• a: 13.4346 ± 0.0013 Å
• b: 14.1142 ± 0.0009 Å
• c: 25.8466 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4901 ± 0.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.3477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No