Information card for entry 2009607

Structure parameters

• Chemical name: cyclo-glycyl-L-phenylglycine
• Formula: C10 H10.5 N2 O2.25
• Calculated formula: C10 H10.5 N2 O2.25
• SMILES: N1C(=O)CNC(=O)[C@@H]1c1ccccc1.O
• 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: 37.462 ± 0.002 Å
• b: 6.2017 ± 0.0003 Å
• c: 8.1843 ± 0.0004 Å
• α: 90°
• β: 98.891 ± 0.004°
• γ: 90°
• Cell volume: 1878.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.1546
• Weighted residual factors for significantly intense reflections: 0.1287
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No