Information card for entry 7150274

Structure parameters

• Common name: idoazeridine
• Chemical name: idoazeridine
• Formula: C26 H31 N O6
• Calculated formula: C26 H31 N O6
• SMILES: O1[C@@H]2OC(O[C@@H]2[C@@H](OCc2ccccc2)[C@H]1[C@H]1N([C@@H]1C(=O)OCC)Cc1ccccc1)(C)C
• Title of publication: Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition.
• Authors of publication: Dhavale, Dilip D.; Kumar, K. S. Ajish; Chaudhari, Vinod D.; Sharma, Tarun; Sabharwal, Sushma G.; Prakashareddy, J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 3720 - 3726
• a: 9.934 ± 0.004 Å
• b: 5.408 ± 0.002 Å
• c: 22.042 ± 0.001 Å
• α: 90°
• β: 96.59 ± 0.01°
• γ: 90°
• Cell volume: 1176.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No