Information card for entry 7134310

Structure parameters

• Chemical name: ????1
• Formula: C66 H78 N4 O4 S4
• Calculated formula: C66 H78 N4 O4 S4
• Title of publication: Radical-mediated chemo-divergent recyclization of 1,2,3,4-benzothiatriazine-1,1-dioxides: alkyl migration and dearomatization.
• Authors of publication: Nan, Jiang; Yang, Shuai; Huang, Guanjie; Fan, Liangxin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 29
• Pages of publication: 5503 - 5506
• a: 9.3937 ± 0.0016 Å
• b: 12.665 ± 0.002 Å
• c: 14.285 ± 0.003 Å
• α: 107.715 ± 0.007°
• β: 102.575 ± 0.007°
• γ: 96.844 ± 0.006°
• Cell volume: 1548.3 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.1646
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No