Information card for entry 7152303

Structure parameters

• Formula: C18 H23 N O7
• Calculated formula: C18 H23 N O7
• SMILES: O[C@@]1(COCc2ccccc2)[C@](NC(=O)[C@H]1C)(COC(=O)C)C(=O)OC
• Title of publication: Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.
• Authors of publication: Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 3472 - 3485
• a: 9.7787 ± 0.0004 Å
• b: 10.1274 ± 0.0003 Å
• c: 9.7756 ± 0.0003 Å
• α: 90°
• β: 108.505 ± 0.004°
• γ: 90°
• Cell volume: 918.05 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9889
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No