Information card for entry 7159294

Structure parameters

• Formula: C19 H26 F N O4 Si
• Calculated formula: C19 H26 F N O4 Si
• SMILES: O=C1N2CC[C@@H]([C@@]2(c2c1cccc2F)O[Si](C)(C)C(C)(C)C)C(=O)OC.O=C1N2CC[C@H]([C@]2(c2c1cccc2F)O[Si](C)(C)C(C)(C)C)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: 7.5827 ± 0.0002 Å
• b: 14.7561 ± 0.0004 Å
• c: 17.4215 ± 0.0004 Å
• α: 90°
• β: 101.342 ± 0.002°
• γ: 90°
• Cell volume: 1911.24 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections: 0.2386
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9946
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No