Information card for entry 7159298

Structure parameters

• Formula: C19 H26 N2 O6 Si
• Calculated formula: C19 H26 N2 O6 Si
• SMILES: O=C1N2CC[C@@H]([C@@]2(c2ccc(cc12)N(=O)=O)O[Si](C)(C)C(C)(C)C)C(=O)OC.O=C1N2CC[C@H]([C@]2(c2ccc(cc12)N(=O)=O)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: 8.2581 ± 0.0001 Å
• b: 15.3881 ± 0.0001 Å
• c: 31.9391 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4058.71 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9967
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No