Information card for entry 1563784

Structure parameters

• Formula: C35 H37 I N2 O7 S
• Calculated formula: C35 H37 I N2 O7 S
• SMILES: Ic1ccc2n(c3OC/C(=C/N(S(=O)(=O)c4ccc(cc4)C)c4ccccc4)C(c3c2c1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)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: 26.3668 ± 0.0007 Å
• b: 12.0985 ± 0.0003 Å
• c: 22.1997 ± 0.0006 Å
• α: 90°
• β: 101.169 ± 0.001°
• γ: 90°
• Cell volume: 6947.5 ± 0.3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No