Information card for entry 7249041

Structure parameters

• Formula: C41 H37 N5 O5
• Calculated formula: C41 H37 N5 O5
• Title of publication: Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; Synthesis, evaluation, and molecular modelling studies
• Authors of publication: Islam, Mohammad Shahidul; Al-Jassas, Refaah Mousa; Al-Majid, Abdullah Mohammed; Haukka, Matti; Nafie, Mohamed S.; Abu-Serie, Marwa M; Teleb, Mohamed; El-Yazbi, Amira Fawzy; Alayyaf, Abdul Majeed Abdullah; Barakat, Assem; Shaaban, Marwa
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 11.1512 ± 0.0004 Å
• b: 11.4201 ± 0.0005 Å
• c: 27.4907 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3500.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No