Information card for entry 7249744

Structure parameters

• Formula: C20 H12 Cl3 N3 O2
• Calculated formula: C20 H12 Cl3 N3 O2
• Title of publication: Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.
• Authors of publication: Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 58 - 74
• a: 7.6668 ± 0.0001 Å
• b: 13.8977 ± 0.0002 Å
• c: 9.5441 ± 0.0002 Å
• α: 90°
• β: 111.742 ± 0.002°
• γ: 90°
• Cell volume: 944.59 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No