Information card for entry 1567025

Structure parameters

• Formula: C31 H17 N9
• Calculated formula: C31 H17 N9
• Title of publication: Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
• Authors of publication: Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
• Journal of publication: IUCrJ
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 4
• a: 13.0864 ± 0.0002 Å
• b: 25.3377 ± 0.0004 Å
• c: 7.8403 ± 0.0001 Å
• α: 90°
• β: 92.651 ± 0.001°
• γ: 90°
• Cell volume: 2596.9 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No