Information card for entry 7106098

Structure parameters

• Common name: 09099c
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: [C@]12(NC(=O)[C@H](C)[C@@H]1OC2=O)CC(C)C.[C@@]12(NC(=O)[C@@H](C)[C@H]1OC2=O)CC(C)C
• Title of publication: Novel methodologies for the synthesis of functionalized pyroglutamates
• Authors of publication: Srinivas Tekkam; M. A. Alam; Subash C. Jonnalagadda; Venkatram R. Mereddy
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3219
• a: 6.157 ± 0.003 Å
• b: 19.22 ± 0.008 Å
• c: 9.096 ± 0.004 Å
• α: 90°
• β: 95.386 ± 0.006°
• γ: 90°
• Cell volume: 1071.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No