Information card for entry 7121483

Structure parameters

• Common name: Ts-pyrrole-TTF-quinoxaline
• Chemical name: 2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-6,7-bis(2,5-dimethylthiophen-3-yl)-[1,3]dithiolo[4,5-g]quinoxaline
• Formula: C26 H19 N3 S6
• Calculated formula: C26 H19 N3 S6
• Title of publication: Electrochemical amphotericity and NIR absorption induced via the step-wise protonation of fused quinoxaline-tetrathiafulvalene-pyrroles.
• Authors of publication: Park, Jung Su; Tran, Trang Thu; Kim, Jongmin; Sessler, Jonathan L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 36
• Pages of publication: 4553 - 4556
• a: 29.9118 ± 0.0011 Å
• b: 20.1932 ± 0.0011 Å
• c: 9.8958 ± 0.0004 Å
• α: 90°
• β: 102.473 ± 0.004°
• γ: 90°
• Cell volume: 5836.1 ± 0.5 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No