Information card for entry 7159380

Structure parameters

• Formula: C28 H28 Br2 N2 O4
• Calculated formula: C28 H28 Br2 N2 O4
• SMILES: N1[C@H](N([C@@H](C1(C(=O)OCC)C(=O)OCC)c1ccc(cc1)Br)Cc1ccccc1)c1ccc(cc1)Br.N1[C@@H](N([C@H](C1(C(=O)OCC)C(=O)OCC)c1ccc(cc1)Br)Cc1ccccc1)c1ccc(cc1)Br
• 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: 10.268 ± 0.0004 Å
• b: 11.6652 ± 0.0004 Å
• c: 11.8384 ± 0.0004 Å
• α: 80.247 ± 0.003°
• β: 71.111 ± 0.003°
• γ: 86.325 ± 0.003°
• Cell volume: 1322.17 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No