Information card for entry 7245325

Structure parameters

• Formula: C24 H14 F4 N4 S6
• Calculated formula: C24 H14 F4 N4 S6
• SMILES: S1C(SC2=C1S[C@@H]([C@H](S2)CC)CC)=C1SC=CS1.FC1C(C(F)=C(F)C(=C(C#N)C#N)C=1F)=C(C#N)C#N
• Title of publication: Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes
• Authors of publication: Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.6595 ± 0.0001 Å
• b: 14.5463 ± 0.0002 Å
• c: 22.7605 ± 0.0003 Å
• α: 95.079 ± 0.001°
• β: 99.545 ± 0.001°
• γ: 90.995 ± 0.001°
• Cell volume: 2489.66 ± 0.06 ų
• Cell temperature: 149.9 ± 0.5 K
• Ambient diffraction temperature: 149.9 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No