Information card for entry 7247405

Structure parameters

• Formula: C14 H13 N2 O5 S
• Calculated formula: C14 H13 N2 O5 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: 5.6484 ± 0.0004 Å
• b: 8.1619 ± 0.0006 Å
• c: 15.8411 ± 0.0012 Å
• α: 81.03 ± 0.002°
• β: 85.54 ± 0.002°
• γ: 76.678 ± 0.002°
• Cell volume: 701.29 ± 0.09 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: 0.055
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No