Information card for entry 1561104

Structure parameters

• Common name: Guest_MNB_235_071020
• Formula: C40 H26
• Calculated formula: C40 H26
• SMILES: c1ccc2c(c1)ccc(c1ccc(c3c1C1c4ccccc4C3c3ccccc13)c1cc3ccccc3cc1)c2
• 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: 8.1285 ± 0.0002 Å
• b: 22.6403 ± 0.0006 Å
• c: 14.3177 ± 0.0003 Å
• α: 90°
• β: 90.586 ± 0.001°
• γ: 90°
• Cell volume: 2634.77 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 2
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 2.981
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No