Information card for entry 4518455

Structure parameters

• Formula: C25 H26 N4 O S
• Calculated formula: C25 H26 N4 O 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: 10.2816 ± 0.0004 Å
• b: 10.786 ± 0.0003 Å
• c: 11.5784 ± 0.0004 Å
• α: 99.889 ± 0.001°
• β: 98.5 ± 0.001°
• γ: 111.27 ± 0.001°
• Cell volume: 1147.48 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No