Information card for entry 7063595

Structure parameters

• Common name: 1R5R7T
• Chemical name: (1'R,5R)-N-(1-(1'-naphthyl)-ethyl)-2-thioxo-5,6-dihydro-[1,3]dithiolo[4,5-b]dithiin -5-yl-acetamide
• Formula: C19 H17 N O S5
• Calculated formula: C19 H17 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: 18.7628 ± 0.0004 Å
• b: 4.8885 ± 0.0001 Å
• c: 21.3421 ± 0.0005 Å
• α: 90°
• β: 90.515 ± 0.002°
• γ: 90°
• Cell volume: 1957.46 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No