Information card for entry 7247402

Structure parameters

• Formula: C19 H14 N2 O8 S
• Calculated formula: C19 H14 N2 O8 S
• 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: 8.3923 ± 0.0012 Å
• b: 8.5678 ± 0.0012 Å
• c: 12.9934 ± 0.0018 Å
• α: 79.779 ± 0.003°
• β: 75.701 ± 0.003°
• γ: 78.675 ± 0.003°
• Cell volume: 879.5 ± 0.2 ų
• Cell temperature: 273 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No