Information card for entry 7128949

Structure parameters

• Formula: C23 H18 N2 O2 S
• Calculated formula: C23 H18 N2 O2 S
• SMILES: S(=O)(=O)(n1c2ccccc2c2c1c1c(nc2C)cccc1)c1ccc(cc1)C
• Title of publication: Iminyl-radicals by electrochemical decarboxylation of α-imino-oxy acids: construction of indole-fused polycyclics.
• Authors of publication: Wan, Jin-Lin; Cui, Jian-Feng; Zhong, Wei-Qiang; Huang, Jing-Mei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 79
• Pages of publication: 10242 - 10245
• a: 8.5865 ± 0.0002 Å
• b: 14.3767 ± 0.0004 Å
• c: 15.4328 ± 0.0003 Å
• α: 90°
• β: 98.973 ± 0.001°
• γ: 90°
• Cell volume: 1881.8 ± 0.08 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No