Information card for entry 1563782

Structure parameters

• Formula: C35 H38 N2 O7 S
• Calculated formula: C35 H38 N2 O7 S
• SMILES: S(=O)(=O)(N(c1ccccc1)[C@H]1C(=C)[C@@H](C(=O)OC(C)(C)C)[C@@]21C(=O)N(C(=O)OC(C)(C)C)c1c2cccc1)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: 9.6132 ± 0.0004 Å
• b: 17.1589 ± 0.0007 Å
• c: 20.1048 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3316.3 ± 0.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No