Information card for entry 7151470

Structure parameters

• Formula: C26 H26 N2 O4 S
• Calculated formula: C26 H26 N2 O4 S
• SMILES: S(=O)(=O)(N[C@@H](c1ccccc1)[C@H]1C(=O)N2[C@H](CO[C@@H]2c2ccccc2)C1)c1ccc(cc1)C
• Title of publication: Pyrrolidinones derived from (S)-pyroglutamic acid: penmacric acid and analoguesPart V. For parts I?IV see refs. 20?22, 24
• Authors of publication: Anwar, Muhammed; Bailey, Jonathan H.; Dickinson, Laura C.; Edwards, Hermia J.; Goswami, Rajesh; Moloney, Mark G.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 13
• Pages of publication: 2364
• a: 14.089 ± 0.003 Å
• b: 6.305 ± 0.002 Å
• c: 25.875 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.5 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9854
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No