Information card for entry 7121482

Structure parameters

• Common name: Quinoxaline-TTF-pyrrole
• Chemical name: 2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-[1,3]dithiolo[4,5-g]quinoxaline
• Formula: C14 H7 N3 S4
• Calculated formula: C14 H7 N3 S4
• 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: 7.2126 ± 0.0003 Å
• b: 17.1917 ± 0.0007 Å
• c: 10.7279 ± 0.0005 Å
• α: 90°
• β: 94.846 ± 0.003°
• γ: 90°
• Cell volume: 1325.47 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No