Information card for entry 7247065

Structure parameters

• Formula: C25 H21 F N4 O4
• Calculated formula: C25 H21 F N4 O4
• SMILES: Fc1c(C2C3=C(Oc4ncnc(Nc5ccc(N(=O)=O)cc5)c24)CC(CC3=O)(C)C)cccc1
• Title of publication: The link between relative stability constant of DNA- and BSA-chromenopyrimidine complexes and cytotoxicity towards human breast cancer cells (MCF-7)
• Authors of publication: Zamisa, Sizwe J.; Adeleke, Adesola A.; Devnarain, Nikita; Rhman, Mahasin Abdel; Owira, Peter M. O.; Omondi, Bernard
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 21820 - 21837
• a: 21.5323 ± 0.0004 Å
• b: 6.9303 ± 0.0001 Å
• c: 29.2911 ± 0.0007 Å
• α: 90°
• β: 93.555 ± 0.001°
• γ: 90°
• Cell volume: 4362.56 ± 0.15 ų
• Cell temperature: 99.97 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No