Information card for entry 7128865

Structure parameters

• Formula: C46 H36 Cl4 O4
• Calculated formula: C46 H36 Cl4 O4
• Title of publication: A non-planar 2D covalent organic framework derived from a Z-shaped building unit.
• Authors of publication: Shan, Zhen; Wu, Miaomiao; Gu, Zhangjie; Nishiyama, Yusuke; Zhang, Gen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9236 - 9239
• a: 8.3317 ± 0.0003 Å
• b: 14.2855 ± 0.0005 Å
• c: 15.6527 ± 0.0006 Å
• α: 90°
• β: 100.345 ± 0.0012°
• γ: 90°
• Cell volume: 1832.74 ± 0.12 ų
• Ambient diffraction temperature: 150 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: 0.0965
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No