Information card for entry 7159299

Structure parameters

• Formula: C27 H33 N O6 Si
• Calculated formula: C27 H33 N O6 Si
• SMILES: O=C1c2ccccc2[C@]2([C@H](C[C@H](N12)C(=O)OCc1ccccc1)C(=O)OC)O[Si](C)(C)C(C)(C)C
• 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: 10.4727 ± 0.0001 Å
• b: 8.76 ± 0.0001 Å
• c: 28.8275 ± 0.0003 Å
• α: 90°
• β: 94.2357 ± 0.0009°
• γ: 90°
• Cell volume: 2637.44 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No