Information card for entry 1520502

Structure parameters

• Formula: C37 H20 F4 N4 O4
• Calculated formula: C37 H20 F4 N4 O4
• SMILES: c1(C#N)c(c(c(C#N)c2Oc3c(cc4c(c3)C(C)(C)CC34CC(C)(C)c4c3cc3Oc5c(c(C#N)c(c(c5C#N)F)F)Oc3c4)Oc12)F)F
• Title of publication: Synthesis of perfectly alternating copolymers for polymers of intrinsic microporosity
• Authors of publication: Zhang, Jian; Jin, Jianyong; Cooney, Ralph; Fu, Qiang; Qiao, Greg G.; Thomas, Sylvie; Merkel, Tim C.
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 28
• Pages of publication: 5003
• a: 22.674 ± 0.003 Å
• b: 10.0584 ± 0.0012 Å
• c: 13.4593 ± 0.0016 Å
• α: 90°
• β: 99.514 ± 0.009°
• γ: 90°
• Cell volume: 3027.4 ± 0.7 ų
• Cell temperature: 372 ± 2 K
• Ambient diffraction temperature: 372 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No