Information card for entry 2009608

Structure parameters

• Chemical name: cyclo-L-alanyl-D-phenylglycine
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: N1C(=O)[C@H](C)NC(=O)[C@H]1c1ccccc1
• Title of publication: Two cyclic dipeptide anticonvulsants: <i>cyclo</i>-glycyl-<small>L</small>-phenylglycine (1) and <i>cyclo</i>-<small>L</small>-alanyl-<small>D</small>-phenylglycine (2)
• Authors of publication: Szkaradzinska, Maria B.; Kubicki, Maciej; Codding, Penelope W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 565 - 569
• a: 5.0084 ± 0.0006 Å
• b: 20.367 ± 0.003 Å
• c: 5.2057 ± 0.0005 Å
• α: 90°
• β: 105.198 ± 0.008°
• γ: 90°
• Cell volume: 512.44 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.1174
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No