Information card for entry 7132802

Structure parameters

• Formula: C38 H28 N8
• Calculated formula: C38 H28 N8
• SMILES: n1(c2ccc(C(=C(c3ccc(n4ccnc4)cc3)c3ccc(n4cncc4)cc3)c3ccc(n4cncc4)cc3)cc2)ccnc1
• Title of publication: The construction of a stable hydrogen-bonded organic framework for the photocatalytic reduction and removal of uranium.
• Authors of publication: Zhang, Li; Luo, Yu-Ting; Xiao, Sai-Jin; Fan, Jia-Qi; Tan, Quan-Gen; Sun, Chen; Song, An-Min; Liang, Ru-Ping; Qiu, Jian-Ding
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 26
• Pages of publication: 3583 - 3586
• a: 11.5521 ± 0.0002 Å
• b: 9.4107 ± 0.0002 Å
• c: 32.526 ± 0.0006 Å
• α: 90°
• β: 95.722 ± 0.002°
• γ: 90°
• Cell volume: 3518.39 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.074
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No