Information card for entry 7240126

Structure parameters

• Formula: C84 H90 N12 O6
• Calculated formula: C84 H90 N12 O6
• SMILES: c1(c2cc3cc1C=N[C@@H]1[C@H](CCCC1)/N=C/c1c(c4C=N[C@@H]5[C@H](CCCC5)N=Cc5c(c(C=N[C@@H]6[C@H](CCCC6)/N=C/2)cc(c5)c2cc5c(c(c2)/C=N/[C@@H]2[C@H](CCCC2)N=Cc2cc3cc(c2O)C=N[C@@H]2[C@H](CCCC2)N=Cc2c(c(cc(c(c1)c4)c2)/C=N/[C@@H]1[C@H](CCCC1)N=C5)O)O)O)O)O
• Title of publication: A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks
• Authors of publication: Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 2498 - 2504
• a: 24.951 ± 0.003 Å
• b: 24.951 ± 0.003 Å
• c: 34.647 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21570 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.2724
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotronMonochr
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No