Information card for entry 7127770

Structure parameters

• Formula: C17 H15 N O4 S
• Calculated formula: C17 H15 N O4 S
• SMILES: S1(=O)(=O)N=C(CCCC(=O)c2ccccc2)c2c(O1)cccc2
• Title of publication: Ag-Catalyzed ring-opening of tertiary cycloalkanols for C-H functionalization of cyclic aldimines.
• Authors of publication: Wang, Jingjing; Liu, Xue; Wu, Ziyan; Li, Feng; Zhang, Ming-Liang; Mi, Yiman; Wei, Junhao; Zhou, Yao; Liu, Lantao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1506 - 1509
• a: 5.8457 ± 0.0008 Å
• b: 8.1317 ± 0.0009 Å
• c: 16.63 ± 0.002 Å
• α: 102.41 ± 0.004°
• β: 91.559 ± 0.005°
• γ: 99.457 ± 0.005°
• Cell volume: 759.95 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No