Information card for entry 7063596

Structure parameters

• Common name: 1R5R6T
• Chemical name: (1'R,5R) N-(1'-cyclohexylethyl)-2-(-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b]- [1,4]dithiin-5-yl)acetamide(eluted first)
• Formula: C15 H21 N O S5
• Calculated formula: C15 H21 N O S5
• Title of publication: A series of enantiopure BEDT-TTF-acetamide derivatives with two stereogenic centres
• Authors of publication: Short, Jonathan I.; Rushbridge, Elizabeth K.; Blundell, Toby J.; Ogar, Joseph O.; Yang, Songjie; Wallis, John D.; Martin, Lee
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 910 - 920
• a: 4.7058 ± 0.0002 Å
• b: 23.3373 ± 0.0009 Å
• c: 8.5808 ± 0.0004 Å
• α: 90°
• β: 103.703 ± 0.005°
• γ: 90°
• Cell volume: 915.53 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No