Information card for entry 7152302

Structure parameters

• Formula: C10 H17 N O6
• Calculated formula: C10 H17 N O6
• SMILES: O=C(OC)[C@@]1(NC(=O)[C@H]([C@]1(O)COC)C)CO
• 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: 8.4697 ± 0.0001 Å
• b: 10.1103 ± 0.0001 Å
• c: 13.868 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.53 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for all reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9946
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No