Information card for entry 7151691

Structure parameters

• Formula: C25 H33 N O9
• Calculated formula: C25 H33 N O9
• SMILES: O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC)CN1CC[C@@H](CCC1=O)c1ccccc1
• Title of publication: Synthesis of novel sugar-lactam conjugates using the Aubé reaction.
• Authors of publication: Kurhade, Suresh E.; Mengawade, Tanaji; Bhuniya, Debnath; Palle, Venkata P.; Reddy, D. Srinivasa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 744 - 747
• a: 10.7328 ± 0.001 Å
• b: 12.0282 ± 0.001 Å
• c: 19.7768 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2553.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No