Information card for entry 7102718

Structure parameters

• Common name: bis(-3,4-ethylenedithio-4'-(-3- pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.
• Chemical name: bis(-3,4-ethylenedithio-4'-(-3-pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.
• Formula: C32 H28 N4 O3 S12
• Calculated formula: C32 H20 N4 O3 S12
• Title of publication: [2 + 2]Photocyclization in a single-crystal-to-single-crystal transformation of a TTF-amido-pyridine.
• Authors of publication: Devic, Thomas; Batail, Patrick; Avarvari, Narcis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1538 - 1539
• a: 14.3756 ± 0.0013 Å
• b: 11.1605 ± 0.0007 Å
• c: 22.9236 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3677.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.169
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.595
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No