Information card for entry 4133825

Structure parameters

• Formula: C60 H30 O12
• Calculated formula: C60 H30 O12
• Title of publication: Selective Ethane/Ethylene Separation in a Robust Microporous Hydrogen-Bonded Organic Framework.
• Authors of publication: Zhang, Xu; Li, Libo; Wang, Jia-Xin; Wen, Hui-Min; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Chen, Zhong-Ning; Li, Bin; Qian, Guodong; Chen, Banglin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 22.539 ± 0.003 Å
• b: 40.639 ± 0.005 Å
• c: 13.7223 ± 0.0017 Å
• α: 90°
• β: 96.088 ± 0.005°
• γ: 90°
• Cell volume: 12498 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1799
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No