Information card for entry 7128407

Structure parameters

• Formula: C64 H69 Cl3 O10
• Calculated formula: C64 H69 Cl3 O10
• SMILES: O(c1c2cc(OC)c(c1)Cc1cc(c(cc1c1ccc(cc1)C=O)Cc1cc(OC)c(cc1OC)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)C2)c1ccc(cc1)C=O)C.ClC(Cl)Cl.C(CCC)CC
• Title of publication: Pillararene-enriched linear conjugated polymer materials with thiazolo[5,4-<i>d</i>]thiazole linkages for photocatalysis.
• Authors of publication: Li, Zheng; Li, Lu; Wang, Yan; Yang, Ying-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 53
• Pages of publication: 6546 - 6549
• a: 12.0838 ± 0.0007 Å
• b: 15.3449 ± 0.0009 Å
• c: 16.0627 ± 0.001 Å
• α: 84.6388 ± 0.0014°
• β: 89.249 ± 0.0014°
• γ: 88.299 ± 0.0012°
• Cell volume: 2963.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2327
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.287
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No