Information card for entry 4032897

Structure parameters

• Formula: C26 H23 N O5
• Calculated formula: C26 H23 N O5
• SMILES: O(N1C(=O)C(O[C@@]21c1ccccc1O[C@]12O[C@@H]1c1ccccc1)(C)C)Cc1ccccc1.O(N1C(=O)C(O[C@]21c1ccccc1O[C@@]12O[C@H]1c1ccccc1)(C)C)Cc1ccccc1
• Title of publication: [3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.
• Authors of publication: Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10680 - 10686
• a: 11.6822 ± 0.0007 Å
• b: 11.7363 ± 0.0011 Å
• c: 17.1486 ± 0.0012 Å
• α: 87.187 ± 0.006°
• β: 89.117 ± 0.005°
• γ: 81.697 ± 0.006°
• Cell volume: 2323.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1146
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No