Information card for entry 7132050

Structure parameters

• Chemical name: dimethylgallium oxolinate
• Formula: C15 H16 Ga N O5
• Calculated formula: C15 H16 Ga N O5
• SMILES: [Ga]1([O]=C2c3cc4OCOc4cc3N(CC)C=C2C(=O)O1)(C)C
• Title of publication: Gallium reactivates 1st and 2nd generation quinolone antibiotics towards drug-resistantKlebsiella pneumoniae
• Authors of publication: Sultana, Tania; Duffin, Rebekah. N.; Blair, Victoria L.; Andrews, Philip Craig
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 18.0209 ± 0.0006 Å
• b: 13.5163 ± 0.0006 Å
• c: 14.3466 ± 0.0006 Å
• α: 90°
• β: 121.773 ± 0.002°
• γ: 90°
• Cell volume: 2970.8 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No