Information card for entry 7134655

Structure parameters

• Formula: C16 H20 Li N2 O2
• Calculated formula: C16 H20 Li N2 O2
• Title of publication: Syntheses and characterisation of terephthalonitrile radical salts
• Authors of publication: Suo, Meng-Ting; Fleege, Jouke A.; Yutronkie, Nathan J.; Nadurata, Vincent L.; Chernyshov, Dmitry; Rouzières, Mathieu; Mailman, Aaron; Clérac, Rodolphe; Dechambenoit, Pierre
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 54
• Pages of publication: 9972 - 9975
• a: 14.939 ± 0.004 Å
• b: 5.9609 ± 0.0016 Å
• c: 18.837 ± 0.004 Å
• α: 90°
• β: 101.844 ± 0.015°
• γ: 90°
• Cell volume: 1641.7 ± 0.7 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• 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: 0.1224
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No