Information card for entry 1507660

Structure parameters

• Formula: C22 H24 Cl2 N2 O6
• Calculated formula: C22 H24 Cl2 N2 O6
• SMILES: ClCCl.O=N(=O)c1cc2c(cc1O)C1(c3cc(O)c(N(=O)=O)cc3C(C)(C)C1)CC2(C)C
• Title of publication: Synthesis and Gas Transport Properties of Hydroxyl-Functionalized Polyimides with Intrinsic Microporosity
• Authors of publication: Ma, Xiaohua; Swaidan, Raja; Belmabkhout, Youssef; Zhu, Yihan; Litwiller, Eric; Jouiad, Mustapha; Pinnau, Ingo; Han, Yu
• Journal of publication: Macromolecules
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3841
• a: 10.7706 ± 0.001 Å
• b: 10.9426 ± 0.0008 Å
• c: 11.4633 ± 0.0007 Å
• α: 67.709 ± 0.006°
• β: 72.198 ± 0.007°
• γ: 65.797 ± 0.008°
• Cell volume: 1121.99 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No