Information card for entry 2003957

Structure parameters

• Formula: C25 H23 N3 O4 S
• Calculated formula: C25 H23 N3 O4 S
• SMILES: O=C(N1[C@@H](Cc2c1cccc2)C(=O)N1CCC[C@H]1C(=O)c1nccs1)OCc1ccccc1
• Title of publication: Prolyl Endopeptidase Inhibitors. II. A Peptidyl α-Keto Thiazole Derivative
• Authors of publication: Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1925 - 1927
• a: 8.819 ± 0.001 Å
• b: 6.656 ± 0.004 Å
• c: 20.006 ± 0.004 Å
• α: 90°
• β: 93.34 ± 0.01°
• γ: 90°
• Cell volume: 1172.3 ± 0.8 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Residual factor for significantly intense reflections: 0.194
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No