Information card for entry 2312379

Structure parameters

• Formula: C20 H17 N O6
• Calculated formula: C20 H17 N O6
• Title of publication: 1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
• Authors of publication: Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 1
• a: 11.5705 ± 0.0002 Å
• b: 12.5736 ± 0.0002 Å
• c: 13.5708 ± 0.0002 Å
• α: 90°
• β: 91.271 ± 0.001°
• γ: 90°
• Cell volume: 1973.83 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes