Information card for entry 7157598

Structure parameters

• Formula: C20 H15 N O2 S
• Calculated formula: C20 H15 N O2 S
• SMILES: S1(=O)(=O)N=C(c2c1cccc2)c1c(c2ccccc2)cccc1C
• 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: 7.4364 ± 0.0005 Å
• b: 26.4068 ± 0.0016 Å
• c: 8.4485 ± 0.0005 Å
• α: 90°
• β: 94.973 ± 0.002°
• γ: 90°
• Cell volume: 1652.8 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0477
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No