Information card for entry 7159370

Structure parameters

• Formula: C22 H22 F N O6
• Calculated formula: C22 H22 F N O6
• SMILES: O1[C@@H]([C@H](N([C@H]1c1ccc(cc1)F)C(=O)CC(=O)OCC)C(=O)OC)c1ccccc1.O1[C@H]([C@@H](N([C@@H]1c1ccc(cc1)F)C(=O)CC(=O)OCC)C(=O)OC)c1ccccc1
• Title of publication: Synthesis of fused tetramate-oxazolidine and -imidazolidine derivatives and their antibacterial activity.
• Authors of publication: Saney, Liban; Panduwawala, Tharindi; Li, Xiang; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4801 - 4809
• a: 8.2739 ± 0.0004 Å
• b: 10.4856 ± 0.0006 Å
• c: 13.0102 ± 0.0007 Å
• α: 85.539 ± 0.004°
• β: 72.759 ± 0.005°
• γ: 69.075 ± 0.005°
• Cell volume: 1006.41 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9969
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No