Information card for entry 4518454

Structure parameters

• Formula: C27 H26 N4 O1.45 S
• Calculated formula: C27 H26 N4 O1.425 S
• Title of publication: Supramolecular Engineering of Efficient Artificial Light-Harvesting Systems from Cyanovinylene Chromophores and Pillar[5]arene-Based Polymer Hosts.
• Authors of publication: Wang, Xing-Huo; Lou, Xin-Yue; Lu, Tong; Wang, Chunyu; Tang, Jun; Liu, Fengqi; Wang, Yan; Yang, Ying-Wei
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 4593 - 4604
• a: 14.1525 ± 0.0017 Å
• b: 22.975 ± 0.003 Å
• c: 15.202 ± 0.0017 Å
• α: 90°
• β: 107.265 ± 0.004°
• γ: 90°
• Cell volume: 4720.3 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1639
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2871
• Weighted residual factors for all reflections included in the refinement: 0.335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No