Information card for entry 1561105

Structure parameters

• Formula: C60 H50
• Calculated formula: C60 H50
• SMILES: c1(c2c(c(cc1)c1c(cc3ccccc3c1)c1ccc(C(C)(C)C)cc1)C1c3c(C2c2ccccc12)cccc3)c1c(cc2ccccc2c1)c1ccc(cc1)C(C)(C)C
• Title of publication: Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption
• Authors of publication: Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 2282 - 2292
• a: 12.906 ± 0.0012 Å
• b: 17.5583 ± 0.0014 Å
• c: 22.216 ± 0.002 Å
• α: 92.437 ± 0.005°
• β: 94.87 ± 0.006°
• γ: 90.603 ± 0.005°
• Cell volume: 5011.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No