Information card for entry 7160551

Structure parameters

• Formula: C22 H32 N2 O2 S
• Calculated formula: C22 H32 N2 O2 S
• Title of publication: Systematic investigation of the structure-property relationship of substituted <i>p</i>-alkoxy-azothiophenes.
• Authors of publication: Averdunk, Conrad; Wegner, Hermann A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 5805 - 5811
• a: 5.5183 ± 0.0002 Å
• b: 10.8362 ± 0.0003 Å
• c: 35.1655 ± 0.0012 Å
• α: 90°
• β: 93.063 ± 0.002°
• γ: 90°
• Cell volume: 2099.8 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No