Information card for entry 7159379

Structure parameters

• Formula: C33 H34 F2 N2 O7
• Calculated formula: C33 H34 F2 N2 O7
• SMILES: [C@@H]1(N([C@H](C(N1C(=O)CC(=O)OCC)(C(=O)OCC)C(=O)OCC)c1ccccc1F)Cc1ccccc1)c1ccccc1F.[C@H]1(N([C@@H](C(N1C(=O)CC(=O)OCC)(C(=O)OCC)C(=O)OCC)c1ccccc1F)Cc1ccccc1)c1ccccc1F
• 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: 11.9604 ± 0.0001 Å
• b: 10.7261 ± 0.0001 Å
• c: 23.5537 ± 0.0002 Å
• α: 90°
• β: 95.4393 ± 0.0007°
• γ: 90°
• Cell volume: 3008.06 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No