Information card for entry 4034963

Structure parameters

• Formula: C34 H31 N3 O3
• Calculated formula: C34 H31 N3 O3
• SMILES: O=C1N(Cc2ccccc2)c2ccccc2[C@@]21O[C@@H](N[C@@]12c2ccccc2N(Cc2ccccc2)C1=O)C(C)C.O=C1N(Cc2ccccc2)c2ccccc2[C@]21O[C@H](N[C@]12c2ccccc2N(Cc2ccccc2)C1=O)C(C)C
• Title of publication: Solvent-Minimized, Chromatography-Free, Diastereoselective Synthesis of Oxazolidine-Dispirooxindoles via oxa-1,3-Dipolar Cycloaddition of 3-Oxindole.
• Authors of publication: Xia, Peng-Ju; Li, Jun; Qian, Yu-Lun; Zhao, Qing-Lan; Xiang, Hao-Yue; Xiao, Jun-An; Chen, Xiao-Qing; Yang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 5
• Pages of publication: 2948 - 2953
• a: 9.4793 ± 0.0002 Å
• b: 12.6384 ± 0.0003 Å
• c: 13.2202 ± 0.0004 Å
• α: 98.616 ± 0.002°
• β: 92.833 ± 0.002°
• γ: 107.212 ± 0.001°
• Cell volume: 1488.43 ± 0.07 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: 0.0984
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.2718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No