Information card for entry 7109950

Structure parameters

• Formula: C26 H30 N2 O5
• Calculated formula: C26 H30 N2 O5
• SMILES: C1N2[C@](CC1)([C@H]([C@H](N(=O)=O)[C@@H]2/C=C/c1ccccc1OC)c1ccc(cc1)C)C(=O)OCC.C1N2[C@@](CC1)([C@@H]([C@@H](N(=O)=O)[C@H]2/C=C/c1ccccc1OC)c1ccc(cc1)C)C(=O)OCC
• Title of publication: Synthetically useful noncatalytic strategy: a stereocontrolled rapid cyclization of a three component system to afford hexahydropyrrolizines
• Authors of publication: Tista Sengupta; Saikat Khamarui; Srikanta Samanta; Dilip K. Maiti
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9962
• a: 8.5277 ± 0.0008 Å
• b: 11.7075 ± 0.0012 Å
• c: 24.388 ± 0.002 Å
• α: 87.45 ± 0.004°
• β: 88.887 ± 0.004°
• γ: 81.918 ± 0.004°
• Cell volume: 2408.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No