Information card for entry 7061067

Structure parameters

• Formula: C30 H32.5 N4 O5.25
• Calculated formula: C30 H32.5 N4 O5.25
• Title of publication: Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments
• Authors of publication: Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 621 - 631
• a: 9.7391 ± 0.0008 Å
• b: 25.2387 ± 0.0019 Å
• c: 11.2459 ± 0.0009 Å
• α: 90°
• β: 93.42 ± 0.002°
• γ: 90°
• Cell volume: 2759.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1344
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No