Information card for entry 7064145

Structure parameters

• Formula: C22 H29 N3 O3 S
• Calculated formula: C22 H29 N3 O3 S
• Title of publication: Blue-Light Assisted Transformation of C=S and P=S Bonds of Thioamides and Thiophosphonyl Diamides into C=N and P=N bonds of N-Sulfonyl Amidines via Interaction with Iminoiodinanes
• Authors of publication: Ilkin, Vladimir; Silaichev, Pavel; Filimonov, Valeriy; Nikulin, Alexey; Beliaev, Nikolai; Beryozkina, Tetyana; Slepukhin, Pavel A.; Dehaen, Wim; Bakulev, Vasiliy Alekseevich
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• a: 9.1024 ± 0.0003 Å
• b: 19.3688 ± 0.0006 Å
• c: 12.6664 ± 0.0004 Å
• α: 90°
• β: 107.71 ± 0.003°
• γ: 90°
• Cell volume: 2127.29 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1069
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No