Information card for entry 7157600

Structure parameters

• Formula: C20 H15 N O4 S
• Calculated formula: C20 H15 N O4 S
• SMILES: S1(=O)(=O)Oc2c(cccc2)C(=N1)c1c(c2ccc(OC)cc2)cccc1
• Title of publication: Iridium-catalyzed direct C-H arylation of cyclic <i>N</i>-sulfonyl ketimines with arylsiloxanes at ambient temperature.
• Authors of publication: Sarkar, Writhabrata; Bhowmik, Arup; Das, Sumit; Sulekha, Aiswarya Balaram; Mishra, Aniket; Deb, Indubhusan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 7074 - 7078
• a: 8.107 ± 0.007 Å
• b: 11.495 ± 0.009 Å
• c: 19.194 ± 0.016 Å
• α: 90°
• β: 93.585 ± 0.01°
• γ: 90°
• Cell volume: 1785 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1832
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.3164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No