Information card for entry 7247404

Structure parameters

• Formula: C26 H28 N4 O13 S3
• Calculated formula: C26 H28 N4 O13 S3
• Title of publication: Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety
• Authors of publication: Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 38
• Pages of publication: 5461 - 5469
• a: 7.5645 ± 0.0008 Å
• b: 11.3096 ± 0.0012 Å
• c: 18.1129 ± 0.0019 Å
• α: 95.837 ± 0.003°
• β: 97.142 ± 0.003°
• γ: 99.33 ± 0.003°
• Cell volume: 1505.4 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.1536
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No