Information card for entry 7132051

Structure parameters

• Chemical name: Dimethylgallium norfloxate
• Formula: C18 H23 F Ga N3 O3
• Calculated formula: C18 H23 F Ga N3 O3
• SMILES: [Ga]1(OC(=O)C2C(=[O]1)c1cc(F)c(N3CCNCC3)cc1N(C=2)CC)(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: 8.7432 ± 0.0006 Å
• b: 9.9407 ± 0.0008 Å
• c: 10.8377 ± 0.0007 Å
• α: 94.228 ± 0.004°
• β: 100.666 ± 0.004°
• γ: 102.337 ± 0.004°
• Cell volume: 897.98 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No