Information card for entry 7159293

Structure parameters

• Formula: C13 H12 F N O3
• Calculated formula: C13 H12 F N O3
• SMILES: Fc1cccc2c1[C@@H]1[C@@H](CCN1C2=O)C(=O)OC.Fc1cccc2c1[C@H]1[C@H](CCN1C2=O)C(=O)OC
• Title of publication: Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.
• Authors of publication: Saney, Liban; 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: 19
• Pages of publication: 4061 - 4071
• a: 5.5806 ± 0.0001 Å
• b: 13.5108 ± 0.0002 Å
• c: 15.3647 ± 0.0003 Å
• α: 90°
• β: 99.2499 ± 0.0017°
• γ: 90°
• Cell volume: 1143.41 ± 0.04 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: 0.0488
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No