Information card for entry 1565832

Structure parameters

• Chemical name: Anthracene-DTTCNQ
• Formula: C30 H14 N4 S2
• Calculated formula: C30 H14 N4 S2
• Title of publication: Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ.
• Authors of publication: Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1057 - 1067
• a: 7.3775 ± 0.0004 Å
• b: 9.3783 ± 0.0006 Å
• c: 9.4318 ± 0.0006 Å
• α: 61.214 ± 0.002°
• β: 89.717 ± 0.002°
• γ: 73.611 ± 0.002°
• Cell volume: 542 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No