Information card for entry 1563783

Structure parameters

• Formula: C26 H22 N2 O5 S
• Calculated formula: C26 H22 N2 O5 S
• SMILES: S(=O)(=O)(N(c1ccccc1)[C@@H]1OC(=O)[C@H](C1=C)[C@H]1C(=O)Nc2c1cccc2)c1ccc(cc1)C.S(=O)(=O)(N(c1ccccc1)[C@H]1OC(=O)[C@@H](C1=C)[C@@H]1C(=O)Nc2c1cccc2)c1ccc(cc1)C
• Title of publication: Asymmetric catalytic synthesis of spirocyclobutyl oxindoles and beyond via [2+2] cycloaddition and sequential transformations
• Authors of publication: Zhong, Xia; Tan, Jiuqi; Qiao, Jianglin; Zhou, Yuqiao; Lv, Cidan; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.349 ± 0.0002 Å
• b: 11.812 ± 0.0003 Å
• c: 14.8662 ± 0.0004 Å
• α: 96.22 ± 0.001°
• β: 95.738 ± 0.001°
• γ: 105.762 ± 0.001°
• Cell volume: 1389.76 ± 0.06 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No