Information card for entry 2200385

Structure parameters

• Common name: cyclo(analine-4-hydroxyproline)
• Chemical name: 2-hydroxy-6-methyl-1,2,3,5,6,7,8,8a-octahydro-7-azaindolizine-5,8-dione
• Formula: C8 H12 N2 O3
• Calculated formula: C8 H12 N2 O3
• SMILES: C1(=O)[C@H]2C[C@@H](CN2C(=O)[C@@H](C)N1)O
• Title of publication: Cyclo(alanine-4-hydroxyproline)
• Authors of publication: Pavkovic, Stephen F.; Zerkowski, Jonathan A.; Zeng, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o798 - o799
• a: 8.626 ± 0.002 Å
• b: 9.924 ± 0.003 Å
• c: 5.179 ± 0.001 Å
• α: 90°
• β: 103.719 ± 0.009°
• γ: 90°
• Cell volume: 430.7 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 21 ± 2 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: 0.0562
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes