Information card for entry 7120614

Structure parameters

• Formula: C62 H84 N22 O7 S
• Calculated formula: C62 H84 N22 O7 S
• Title of publication: Two solvent-induced porous hydrogen-bonded organic frameworks: solvent effects on structures and functionalities
• Authors of publication: Wang, Hailong; Bao, Zongbi; Wu, Hui; Lin, Rui-Biao; Zhou, Wei; Hu, Tong-Liang; Li, Bin; Zhao, John Cong-Gui; Chen, Banglin
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 21.647 ± 0.0005 Å
• b: 22.0832 ± 0.0005 Å
• c: 14.1759 ± 0.0003 Å
• α: 90°
• β: 92.692 ± 0.002°
• γ: 90°
• Cell volume: 6769.1 ± 0.3 ų
• Cell temperature: 100 ± 0.16 K
• Ambient diffraction temperature: 100 ± 0.16 K
• Number of distinct elements: 5
• 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: 0.1369
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.3612
• Weighted residual factors for all reflections included in the refinement: 0.3846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.708
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No