Information card for entry 7063600

Structure parameters

• Chemical name: (1''R,5R)-N-(3-chlorophenyl)ethyl-(BEDT-TTF)-acetamide
• Formula: C20 H18 Cl N O S8
• Calculated formula: C20 H18 Cl N O S8
• 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
• a: 9.492 ± 0.00009 Å
• b: 12.29801 ± 0.00013 Å
• c: 21.6372 ± 0.0002 Å
• α: 90°
• β: 100.093 ± 0.001°
• γ: 90°
• Cell volume: 2486.68 ± 0.04 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No