Information card for entry 7719857

Structure parameters

• Formula: C27 H27 N3 O4
• Calculated formula: C27 H27 N3 O4
• Title of publication: Pyridyl β-ketoenols, pyrazoles and their zinc complexes: synthesis, photophysical properties, and DNA binding.
• Authors of publication: Barton, Kyle J.; Hedberg, Emma N.; Horton, Alexandria R.; Allen, Jacqueline N.; Wheeler, Kraig A.; Cravens, Shannen L.; Bailey, Wilson D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17299 - 17310
• a: 8.1741 ± 0.0009 Å
• b: 10.6497 ± 0.0012 Å
• c: 26.131 ± 0.003 Å
• α: 90°
• β: 96.891 ± 0.004°
• γ: 90°
• Cell volume: 2258.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1374
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No