Information card for entry 7104562

Structure parameters

• Common name: (S)-EDT-TTF-bis(Me-Ox)
• Formula: C16 H16 N2 O2 S6
• Calculated formula: C16 H16 N2 O2 S6
• Title of publication: C(2)-symmetric chiral tetrathiafulvalene-bis(oxazolines) (TTF-BOX): new precursors for organic materials and electroactive metal complexes.
• Authors of publication: Riobé, François; Avarvari, Narcis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3753 - 3755
• a: 5.025 ± 0.0003 Å
• b: 17.606 ± 0.0012 Å
• c: 11.901 ± 0.0012 Å
• α: 90°
• β: 101.87 ± 0.02°
• γ: 90°
• Cell volume: 1030.37 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No