Information card for entry 7249745

Structure parameters

• Formula: C20 H12 Cl3 N3 O S
• Calculated formula: C20 H12 Cl3 N3 O S
• 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: 25.8395 ± 0.0003 Å
• b: 7.12869 ± 0.00006 Å
• c: 23.3863 ± 0.0002 Å
• α: 90°
• β: 114.78 ± 0.0013°
• γ: 90°
• Cell volume: 3911.16 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No